============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 80 rings ring int. center anis. iso. PHE 5 1.000 17.084 20.172 23.354 -99.200 -91.000 TYR 26 0.840 16.122 59.497 14.280 -99.200 -91.000 TYR 27 0.840 20.174 53.053 17.309 -99.200 -91.000 HIS 36 0.900 9.420 36.804 11.801 -99.200 -91.000 HIS 39 0.900 10.002 22.509 15.895 -99.200 -91.000 TRP 48 1.040 0.681 42.445 16.011 -99.200 -91.000 TRP6 48 1.020 -0.673 43.734 17.460 -99.200 -91.000 TYR 50 0.840 9.220 46.615 19.880 -99.200 -91.000 PHE 54 1.000 9.090 36.264 19.314 -99.200 -91.000 TYR 68 0.840 17.541 62.540 21.199 -99.200 -91.000 TRP 71 1.040 10.941 53.435 21.215 -99.200 -91.000 TRP6 71 1.020 12.136 51.405 20.956 -99.200 -91.000 HIS 79 0.900 -3.576 42.591 20.111 -99.200 -91.000 PHE 80 1.000 -1.650 38.557 16.855 -99.200 -91.000 HIS 85 0.900 -13.343 44.835 23.877 -99.200 -91.000 HIS 88 0.900 -8.947 51.950 30.068 -99.200 -91.000 HIS 97 0.900 9.698 50.741 30.962 -99.200 -91.000 HIS 99 0.900 12.191 45.918 33.380 -99.200 -91.000 TYR 110 0.840 1.990 57.395 33.182 -99.200 -91.000 TRP 114 1.040 -3.031 54.953 25.235 -99.200 -91.000 TRP6 114 1.020 -4.307 55.839 23.447 -99.200 -91.000 PHE 115 1.000 3.390 55.064 20.066 -99.200 -91.000 PHE 119 1.000 4.197 58.442 16.681 -99.200 -91.000 TYR 125 0.840 -0.775 61.055 32.642 -99.200 -91.000 PHE 126 1.000 2.611 61.184 21.812 -99.200 -91.000 TYR 131 0.840 9.273 57.168 24.341 -99.200 -91.000 HIS 132 0.900 17.546 62.734 25.440 -99.200 -91.000 TYR 133 0.840 15.249 55.126 25.350 -99.200 -91.000 TRP 143 1.040 13.402 43.350 29.737 -99.200 -91.000 TRP6 143 1.020 11.387 42.335 29.015 -99.200 -91.000 TYR 144 0.840 13.705 46.864 22.088 -99.200 -91.000 HIS 145 0.900 8.167 45.493 28.593 -99.200 -91.000 HIS 147 0.900 4.388 49.536 31.261 -99.200 -91.000 TYR 157 0.840 1.236 34.647 24.126 -99.200 -91.000 TYR 164 0.840 19.024 50.547 25.142 -99.200 -91.000 HIS 167 0.900 28.171 46.751 24.902 -99.200 -91.000 TYR 181 0.840 34.034 33.878 20.884 -99.200 -91.000 PHE 199 1.000 -5.109 28.850 23.539 -99.200 -91.000 TYR 200 0.840 -3.035 35.800 26.578 -99.200 -91.000 PHE 220 1.000 0.202 31.891 28.110 -99.200 -91.000 TRP 232 1.040 11.533 23.221 24.456 -99.200 -91.000 TRP6 232 1.020 9.478 22.247 23.793 -99.200 -91.000 TYR 234 0.840 21.146 23.263 16.538 -99.200 -91.000 TYR 242 0.840 30.537 30.871 23.512 -99.200 -91.000 PHE 244 1.000 25.728 31.812 26.796 -99.200 -91.000 TYR 255 0.840 11.381 30.477 31.883 -99.200 -91.000 PHE 265 1.000 23.659 28.188 34.745 -99.200 -91.000 PHE 284 1.000 20.360 31.758 36.472 -99.200 -91.000 TYR 292 0.840 20.470 35.557 38.039 -99.200 -91.000 PHE 298 1.000 29.104 26.386 26.966 -99.200 -91.000 TYR 301 0.840 31.613 21.114 31.105 -99.200 -91.000 PHE 329 1.000 24.206 26.758 26.417 -99.200 -91.000 TYR 346 0.840 39.236 40.715 44.171 -99.200 -91.000 TYR 350 0.840 31.626 44.461 48.008 -99.200 -91.000 HIS 355 0.900 28.619 57.967 52.840 -99.200 -91.000 TYR 373 0.840 -17.989 41.267 34.730 -99.200 -91.000 TRP 385 1.040 -3.435 53.445 35.880 -99.200 -91.000 TRP6 385 1.020 -1.103 53.841 35.928 -99.200 -91.000 HIS 386 0.900 -9.839 54.288 39.282 -99.200 -91.000 TRP 401 1.040 9.595 52.282 48.279 -99.200 -91.000 TRP6 401 1.020 8.228 52.096 46.352 -99.200 -91.000 HIS 411 0.900 2.086 38.847 43.561 -99.200 -91.000 HIS 414 0.900 10.594 47.555 36.693 -99.200 -91.000 HIS 416 0.900 8.447 51.656 34.712 -99.200 -91.000 PHE 420 1.000 14.735 47.268 43.737 -99.200 -91.000 PHE 428 1.000 3.465 38.475 56.289 -99.200 -91.000 TYR 433 0.840 -0.682 42.464 56.749 -99.200 -91.000 TYR 441 0.840 8.612 41.227 60.588 -99.200 -91.000 TRP 455 1.040 23.970 48.940 42.132 -99.200 -91.000 TRP6 455 1.020 23.136 50.448 43.756 -99.200 -91.000 HIS 462 0.900 10.920 34.427 47.290 -99.200 -91.000 PHE 473 1.000 12.324 56.091 44.951 -99.200 -91.000 TYR 476 0.840 16.915 61.832 33.913 -99.200 -91.000 TYR 480 0.840 10.157 58.469 36.044 -99.200 -91.000 TRP 482 1.040 4.583 51.406 43.013 -99.200 -91.000 TRP6 482 1.020 4.306 49.516 44.415 -99.200 -91.000 HIS 483 0.900 4.952 47.150 36.262 -99.200 -91.000 HIS 485 0.900 7.791 43.208 33.861 -99.200 -91.000 HIS 489 0.900 -0.459 38.373 39.090 -99.200 -91.000 TYR 492 0.840 -9.325 43.264 36.480 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1of0A1 THR 2 HA 0.05 -0.11 0.20 -0.75 4.39 3.77 1of0A1 THR 2 HB 0.10 0.07 -0.02 -0.04 4.32 4.42 1of0A1 THR 2 HG23 0.02 -0.03 0.02 -0.04 1.22 1.19 1of0A1 LEU 3 H 0.10 0.03 0.04 -0.55 8.37 7.99 1of0A1 LEU 3 HA -0.10 0.00 0.35 -0.75 4.35 3.84 1of0A1 LEU 3 HB2 0.12 0.01 -0.04 -0.04 1.64 1.70 1of0A1 LEU 3 HB3 -0.91 -0.01 -0.01 -0.04 1.64 0.68 1of0A1 LEU 3 HG -0.08 -0.03 0.05 -0.04 1.64 1.53 1of0A1 LEU 3 HD13 -0.26 -0.01 -0.07 -0.04 0.93 0.55 1of0A1 LEU 3 HD23 -0.30 -0.00 -0.09 -0.04 0.89 0.46 1of0A1 GLU 4 H 0.07 0.02 0.14 -0.55 8.60 8.29 1of0A1 GLU 4 HA -0.03 0.08 0.48 -0.75 4.29 4.07 1of0A1 GLU 4 HB2 0.07 -0.02 0.12 -0.04 2.09 2.23 1of0A1 GLU 4 HB3 0.17 -0.07 0.05 -0.04 1.99 2.10 1of0A1 GLU 4 HG2 0.01 0.19 -0.14 -0.04 2.34 2.36 1of0A1 GLU 4 HG3 -0.01 -0.02 0.04 -0.04 2.34 2.31 1of0A1 LYS 5 H -0.24 0.10 0.17 -0.55 8.42 7.90 1of0A1 LYS 5 HA -0.00 0.13 0.56 -0.75 4.32 4.25 1of0A1 LYS 5 HB2 -0.92 -0.06 0.08 -0.04 1.87 0.93 1of0A1 LYS 5 HB3 -1.90 0.01 -0.01 -0.04 1.79 -0.16 1of0A1 LYS 5 HG2 -1.24 -0.00 0.00 -0.04 1.46 0.18 1of0A1 LYS 5 HG3 -0.77 0.06 0.09 -0.04 1.46 0.80 1of0A1 LYS 5 HD2 -1.15 -0.07 -0.05 -0.04 1.69 0.38 1of0A1 LYS 5 HD3 -1.43 0.15 0.01 -0.04 1.68 0.36 1of0A1 LYS 5 HE2 -0.64 -0.08 -0.01 -0.04 2.99 2.23 1of0A1 LYS 5 HE3 -0.45 -0.01 -0.01 -0.04 2.99 2.47 1of0A1 PHE 6 H 0.15 0.63 0.27 -0.55 8.34 8.84 1of0A1 PHE 6 HA 0.19 0.13 0.30 -0.75 4.62 4.48 1of0A1 PHE 6 HB2 0.03 0.11 0.05 -0.04 3.15 3.30 1of0A1 PHE 6 HB3 0.09 -0.07 0.01 -0.04 3.06 3.05 1of0A1 PHE 6 HD2 0.04 0.15 -0.22 -0.04 7.28 7.21 1of0A1 PHE 6 HE2 -0.02 -0.01 -0.23 -0.04 7.38 7.08 1of0A1 PHE 6 HZ -0.11 -0.02 -0.16 -0.04 7.32 6.99 1of0A1 VAL 7 H 0.18 0.13 0.07 -0.55 8.24 8.07 1of0A1 VAL 7 HA 0.18 0.24 0.96 -0.75 4.13 4.75 1of0A1 VAL 7 HB 0.04 -0.06 0.06 -0.04 2.12 2.12 1of0A1 VAL 7 HG13 0.07 0.03 -0.28 -0.04 0.97 0.75 1of0A1 VAL 7 HG23 -0.08 0.01 -0.06 -0.04 0.95 0.77 1of0A1 ASP 8 H 0.10 0.13 0.16 -0.55 8.40 8.25 1of0A1 ASP 8 HA 0.00 0.14 0.91 -0.75 4.63 4.92 1of0A1 ASP 8 HB2 -0.07 0.10 0.09 -0.04 2.71 2.79 1of0A1 ASP 8 HB3 -0.09 0.16 0.02 -0.04 2.70 2.74 1of0A1 ALA 9 H -0.21 0.09 0.13 -0.55 8.40 7.86 1of0A1 ALA 9 HA -1.38 0.19 0.63 -0.75 4.34 3.03 1of0A1 ALA 9 HB3 -0.24 -0.01 0.08 -0.04 1.41 1.20 1of0A1 LEU 10 H -0.32 0.36 0.31 -0.55 8.37 8.18 1of0A1 LEU 10 HA -0.14 0.15 0.45 -0.75 4.35 4.05 1of0A1 LEU 10 HB2 -0.13 -0.07 -0.11 -0.04 1.64 1.29 1of0A1 LEU 10 HB3 -0.08 -0.12 0.09 -0.04 1.64 1.49 1of0A1 LEU 10 HG -0.05 0.33 -0.33 -0.04 1.64 1.54 1of0A1 LEU 10 HD13 -0.09 -0.01 -0.12 -0.04 0.93 0.66 1of0A1 LEU 10 HD23 0.03 -0.04 -0.13 -0.04 0.89 0.71 1of0A1 PRO 11 HA -0.06 -0.03 0.48 -0.51 4.44 4.32 1of0A1 PRO 11 HB2 -0.10 0.13 0.11 -0.04 2.28 2.38 1of0A1 PRO 11 HB3 -0.07 -0.06 0.07 -0.04 2.02 1.92 1of0A1 PRO 11 HG2 -0.10 0.15 0.05 -0.04 2.03 2.09 1of0A1 PRO 11 HG3 -0.08 -0.02 0.06 -0.04 2.03 1.95 1of0A1 PRO 11 HD2 -0.11 0.15 0.25 -0.04 3.68 3.94 1of0A1 PRO 11 HD3 -0.11 0.14 0.28 -0.04 3.65 3.92 1of0A1 ILE 12 H -0.03 0.12 0.08 -0.55 8.25 7.88 1of0A1 ILE 12 HA -0.00 0.22 0.87 -0.75 4.18 4.52 1of0A1 ILE 12 HB -0.00 -0.09 0.17 -0.04 1.89 1.93 1of0A1 ILE 12 HG12 -0.00 0.08 -0.15 -0.04 1.49 1.37 1of0A1 ILE 12 HG13 0.02 -0.07 0.01 -0.04 1.21 1.12 1of0A1 ILE 12 HG23 0.02 0.03 -0.04 -0.04 0.93 0.89 1of0A1 ILE 12 HD13 0.06 0.02 -0.08 -0.04 0.88 0.84 1of0A1 PRO 13 HA -0.01 -0.02 0.35 -0.51 4.44 4.26 1of0A1 PRO 13 HB2 0.02 -0.08 0.03 -0.04 2.28 2.21 1of0A1 PRO 13 HB3 0.01 0.15 -0.02 -0.04 2.02 2.12 1of0A1 PRO 13 HG2 -0.04 -0.06 0.02 -0.04 2.03 1.91 1of0A1 PRO 13 HG3 -0.07 0.13 -0.02 -0.04 2.03 2.03 1of0A1 PRO 13 HD2 -0.00 0.05 0.15 -0.04 3.68 3.84 1of0A1 PRO 13 HD3 -0.04 0.37 0.01 -0.04 3.65 3.95 1of0A1 ASP 14 H 0.02 0.07 0.16 -0.55 8.40 8.10 1of0A1 ASP 14 HA 0.02 0.09 0.49 -0.75 4.63 4.47 1of0A1 ASP 14 HB2 0.04 -0.03 0.01 -0.04 2.71 2.68 1of0A1 ASP 14 HB3 0.03 0.04 0.05 -0.04 2.70 2.77 1of0A1 THR 15 H 0.03 0.08 0.16 -0.55 8.28 8.01 1of0A1 THR 15 HA 0.03 0.32 0.73 -0.75 4.39 4.71 1of0A1 THR 15 HB 0.03 -0.08 0.12 -0.04 4.32 4.35 1of0A1 THR 15 HG23 0.03 0.03 -0.07 -0.04 1.22 1.18 1of0A1 LEU 16 H 0.01 0.65 0.18 -0.55 8.37 8.67 1of0A1 LEU 16 HA 0.06 -0.01 0.38 -0.75 4.35 4.02 1of0A1 LEU 16 HB2 -0.02 0.03 -0.10 -0.04 1.64 1.51 1of0A1 LEU 16 HB3 -0.16 -0.06 -0.02 -0.04 1.64 1.35 1of0A1 LEU 16 HG 0.22 0.03 -0.36 -0.04 1.64 1.49 1of0A1 LEU 16 HD13 0.06 -0.02 0.03 -0.04 0.93 0.96 1of0A1 LEU 16 HD23 -0.27 -0.02 -0.18 -0.04 0.89 0.38 1of0A1 LYS 17 H 0.09 0.11 0.18 -0.55 8.42 8.25 1of0A1 LYS 17 HA 0.11 0.18 0.80 -0.75 4.32 4.66 1of0A1 LYS 17 HB2 0.04 -0.05 0.13 -0.04 1.87 1.95 1of0A1 LYS 17 HB3 0.02 0.06 0.02 -0.04 1.79 1.85 1of0A1 LYS 17 HG2 0.04 0.02 -0.02 -0.04 1.46 1.47 1of0A1 LYS 17 HG3 0.04 0.08 0.00 -0.04 1.46 1.54 1of0A1 LYS 17 HD2 0.02 -0.03 0.02 -0.04 1.69 1.67 1of0A1 LYS 17 HD3 0.02 -0.01 0.01 -0.04 1.68 1.66 1of0A1 LYS 17 HE2 0.02 0.02 0.01 -0.04 2.99 3.00 1of0A1 LYS 17 HE3 0.02 -0.05 0.01 -0.04 2.99 2.93 1of0A1 PRO 18 HA -0.54 0.02 0.43 -0.51 4.44 3.84 1of0A1 PRO 18 HB2 -0.20 -0.04 -0.18 -0.04 2.28 1.82 1of0A1 PRO 18 HB3 -0.57 0.04 -0.02 -0.04 2.02 1.43 1of0A1 PRO 18 HG2 -0.14 0.01 0.02 -0.04 2.03 1.88 1of0A1 PRO 18 HG3 -0.46 0.07 -0.01 -0.04 2.03 1.60 1of0A1 PRO 18 HD2 -0.04 0.07 0.15 -0.04 3.68 3.82 1of0A1 PRO 18 HD3 0.07 0.25 0.28 -0.04 3.65 4.20 1of0A1 VAL 19 H -0.24 0.51 0.45 -0.55 8.24 8.42 1of0A1 VAL 19 HA -0.02 0.09 0.58 -0.75 4.13 4.02 1of0A1 VAL 19 HB 0.03 0.05 0.07 -0.04 2.12 2.23 1of0A1 VAL 19 HG13 0.13 -0.02 -0.07 -0.04 0.97 0.97 1of0A1 VAL 19 HG23 -0.09 -0.02 0.06 -0.04 0.95 0.85 1of0A1 GLN 20 H -0.04 0.39 0.19 -0.55 8.47 8.46 1of0A1 GLN 20 HA -0.01 0.13 0.59 -0.75 4.36 4.32 1of0A1 GLN 20 HB2 0.11 -0.06 -0.05 -0.04 2.15 2.11 1of0A1 GLN 20 HB3 0.00 -0.01 -0.06 -0.04 2.02 1.90 1of0A1 GLN 20 HG2 -0.01 -0.02 0.08 -0.04 2.40 2.41 1of0A1 GLN 20 HG3 0.03 0.35 -0.09 -0.04 2.39 2.63 1of0A1 GLN 20 HE21 -0.04 -0.04 -0.05 -0.04 6.97 6.81 1of0A1 GLN 20 HE22 0.01 0.08 -0.05 -0.04 7.69 7.69 1of0A1 GLN 21 H -0.02 0.27 0.17 -0.55 8.47 8.35 1of0A1 GLN 21 HA -0.02 0.27 1.04 -0.75 4.36 4.89 1of0A1 GLN 21 HB2 -0.10 -0.01 -0.15 -0.04 2.15 1.85 1of0A1 GLN 21 HB3 -0.04 -0.02 0.03 -0.04 2.02 1.95 1of0A1 GLN 21 HG2 -0.01 0.02 -0.13 -0.04 2.40 2.23 1of0A1 GLN 21 HG3 -0.02 0.03 0.12 -0.04 2.39 2.48 1of0A1 GLN 21 HE21 -0.01 0.01 -0.02 -0.04 6.97 6.91 1of0A1 GLN 21 HE22 -0.03 -0.03 -0.04 -0.04 7.69 7.54 1of0A1 SER 22 H 0.01 0.82 0.40 -0.55 8.46 9.14 1of0A1 SER 22 HA -0.00 0.17 0.74 -0.75 4.49 4.64 1of0A1 SER 22 HB2 -0.00 -0.03 0.20 -0.04 3.95 4.08 1of0A1 SER 22 HB3 -0.01 0.08 -0.12 -0.04 3.93 3.85 1of0A1 LYS 23 H 0.01 0.15 0.18 -0.55 8.42 8.21 1of0A1 LYS 23 HA 0.02 0.14 0.48 -0.75 4.32 4.21 1of0A1 LYS 23 HB2 0.01 0.00 0.13 -0.04 1.87 1.98 1of0A1 LYS 23 HB3 0.01 -0.03 0.12 -0.04 1.79 1.85 1of0A1 LYS 23 HG2 0.02 0.04 0.11 -0.04 1.46 1.59 1of0A1 LYS 23 HG3 0.01 -0.01 0.04 -0.04 1.46 1.45 1of0A1 LYS 23 HD2 0.02 -0.04 -0.14 -0.04 1.69 1.48 1of0A1 LYS 23 HD3 0.02 0.06 -0.29 -0.04 1.68 1.43 1of0A1 LYS 23 HE2 0.02 0.01 -0.02 -0.04 2.99 2.95 1of0A1 LYS 23 HE3 0.02 0.03 0.01 -0.04 2.99 3.00 1of0A1 GLU 24 H 0.02 -0.06 -0.20 -0.55 8.60 7.81 1of0A1 GLU 24 HA 0.04 0.24 0.81 -0.75 4.29 4.63 1of0A1 GLU 24 HB2 0.02 -0.04 0.01 -0.04 2.09 2.04 1of0A1 GLU 24 HB3 0.03 0.04 0.06 -0.04 1.99 2.08 1of0A1 GLU 24 HG2 0.01 0.01 -0.00 -0.04 2.34 2.32 1of0A1 GLU 24 HG3 0.02 0.07 -0.05 -0.04 2.34 2.34 1of0A1 LYS 25 H 0.04 0.03 -0.15 -0.55 8.42 7.78 1of0A1 LYS 25 HA 0.13 0.32 0.67 -0.75 4.32 4.69 1of0A1 LYS 25 HB2 0.11 0.15 -0.23 -0.04 1.87 1.85 1of0A1 LYS 25 HB3 0.03 -0.15 -0.17 -0.04 1.79 1.46 1of0A1 LYS 25 HG2 0.12 -0.05 -0.47 -0.04 1.46 1.02 1of0A1 LYS 25 HG3 0.36 0.14 -0.05 -0.04 1.46 1.87 1of0A1 LYS 25 HD2 -0.30 -0.00 -0.16 -0.04 1.69 1.18 1of0A1 LYS 25 HD3 -0.13 0.01 -0.12 -0.04 1.68 1.40 1of0A1 LYS 25 HE2 -0.06 -0.06 -0.16 -0.04 2.99 2.67 1of0A1 LYS 25 HE3 -0.09 -0.02 -0.19 -0.04 2.99 2.64 1of0A1 THR 26 H 0.18 0.74 0.34 -0.55 8.28 9.00 1of0A1 THR 26 HA -0.01 0.14 1.12 -0.75 4.39 4.88 1of0A1 THR 26 HB 0.12 -0.02 0.09 -0.04 4.32 4.47 1of0A1 THR 26 HG23 -0.26 -0.00 -0.07 -0.04 1.22 0.85 1of0A1 TYR 27 H -0.02 0.88 0.40 -0.55 8.29 9.00 1of0A1 TYR 27 HA 0.05 0.27 1.17 -0.75 4.56 5.31 1of0A1 TYR 27 HB2 -0.05 -0.01 -0.08 -0.04 3.06 2.88 1of0A1 TYR 27 HB3 -0.08 -0.04 0.16 -0.04 2.98 2.98 1of0A1 TYR 27 HD2 -0.03 -0.03 -0.09 -0.04 7.15 6.96 1of0A1 TYR 27 HE2 -0.03 -0.03 -0.11 -0.04 6.85 6.64 1of0A1 TYR 28 H -0.17 0.84 0.43 -0.55 8.29 8.84 1of0A1 TYR 28 HA -0.33 0.05 1.00 -0.75 4.56 4.53 1of0A1 TYR 28 HB2 -0.29 0.04 0.07 -0.04 3.06 2.84 1of0A1 TYR 28 HB3 -0.31 0.02 -0.10 -0.04 2.98 2.55 1of0A1 TYR 28 HD2 -0.07 0.07 -0.23 -0.04 7.15 6.88 1of0A1 TYR 28 HE2 -0.02 0.09 -0.37 -0.04 6.85 6.51 1of0A1 GLU 29 H -0.15 0.33 0.16 -0.55 8.60 8.39 1of0A1 GLU 29 HA -0.28 0.14 0.91 -0.75 4.29 4.30 1of0A1 GLU 29 HB2 -0.10 0.01 0.11 -0.04 2.09 2.07 1of0A1 GLU 29 HB3 -0.06 0.04 0.00 -0.04 1.99 1.93 1of0A1 GLU 29 HG2 -0.28 0.06 -0.09 -0.04 2.34 1.99 1of0A1 GLU 29 HG3 -0.43 -0.07 -0.29 -0.04 2.34 1.51 1of0A1 VAL 30 H -0.19 0.55 0.14 -0.55 8.24 8.19 1of0A1 VAL 30 HA 0.02 0.19 0.91 -0.75 4.13 4.50 1of0A1 VAL 30 HB -0.13 -0.04 -0.03 -0.04 2.12 1.88 1of0A1 VAL 30 HG13 0.37 0.01 -0.20 -0.04 0.97 1.11 1of0A1 VAL 30 HG23 -0.38 0.01 -0.31 -0.04 0.95 0.23 1of0A1 THR 31 H 0.12 0.21 0.16 -0.55 8.28 8.23 1of0A1 THR 31 HA 0.13 0.23 1.10 -0.75 4.39 5.09 1of0A1 THR 31 HB 0.06 -0.00 0.08 -0.04 4.32 4.41 1of0A1 THR 31 HG23 0.01 0.03 -0.26 -0.04 1.22 0.96 1of0A1 MET 32 H 0.12 0.77 0.32 -0.55 8.47 9.14 1of0A1 MET 32 HA 0.02 0.10 0.43 -0.75 4.52 4.32 1of0A1 MET 32 HB2 -0.08 -0.21 0.20 -0.04 2.15 2.02 1of0A1 MET 32 HB3 -0.18 0.02 -0.10 -0.04 2.03 1.73 1of0A1 MET 32 HG2 0.04 -0.01 -0.15 -0.04 2.63 2.46 1of0A1 MET 32 HG3 0.29 0.16 0.00 -0.04 2.56 2.97 1of0A1 MET 32 HE3 0.39 -0.02 -0.42 -0.04 2.10 2.01 1of0A1 GLU 33 H -0.04 0.54 0.30 -0.55 8.60 8.85 1of0A1 GLU 33 HA -0.18 0.15 0.69 -0.75 4.29 4.20 1of0A1 GLU 33 HB2 0.01 -0.01 -0.06 -0.04 2.09 1.98 1of0A1 GLU 33 HB3 -0.05 0.10 0.02 -0.04 1.99 2.03 1of0A1 GLU 33 HG2 -0.04 0.12 -0.22 -0.04 2.34 2.15 1of0A1 GLU 33 HG3 0.01 -0.06 -0.86 -0.04 2.34 1.39 1of0A1 GLU 34 H -0.17 0.15 0.19 -0.55 8.60 8.22 1of0A1 GLU 34 HA 0.10 0.24 0.82 -0.75 4.29 4.70 1of0A1 GLU 34 HB2 -0.13 -0.08 0.17 -0.04 2.09 2.01 1of0A1 GLU 34 HB3 -0.06 -0.04 0.14 -0.04 1.99 1.99 1of0A1 GLU 34 HG2 -0.04 0.01 -0.06 -0.04 2.34 2.22 1of0A1 GLU 34 HG3 0.17 0.12 0.04 -0.04 2.34 2.63 1of0A1 CYS 35 H 0.02 0.87 0.43 -0.55 8.50 9.26 1of0A1 CYS 35 HA -0.09 0.07 0.69 -0.75 4.58 4.49 1of0A1 CYS 35 HB2 -0.23 0.05 0.07 -0.04 2.97 2.82 1of0A1 CYS 35 HB3 -0.00 0.00 -0.21 -0.04 2.97 2.71 1of0A1 THR 36 H -0.28 0.19 0.19 -0.55 8.28 7.84 1of0A1 THR 36 HA -0.16 0.50 1.11 -0.75 4.39 5.09 1of0A1 THR 36 HB -0.08 -0.02 -0.11 -0.04 4.32 4.07 1of0A1 THR 36 HG23 -0.08 -0.02 -0.23 -0.04 1.22 0.85 1of0A1 HIS 37 H -0.00 0.58 0.35 -0.55 8.41 8.80 1of0A1 HIS 37 HA 0.04 0.09 0.76 -0.75 4.63 4.77 1of0A1 HIS 37 HB2 0.10 0.00 -0.05 -0.04 3.26 3.27 1of0A1 HIS 37 HB3 0.09 0.11 -0.00 -0.04 3.20 3.35 1of0A1 HIS 37 HD2 0.11 -0.02 -0.32 -0.04 6.97 6.70 1of0A1 HIS 37 HE1 0.06 -0.01 0.08 -0.04 7.75 7.83 1of0A1 GLN 38 H 0.13 0.18 0.15 -0.55 8.47 8.39 1of0A1 GLN 38 HA 0.07 0.12 0.69 -0.75 4.36 4.50 1of0A1 GLN 38 HB2 0.06 -0.05 0.09 -0.04 2.15 2.21 1of0A1 GLN 38 HB3 0.06 -0.00 0.07 -0.04 2.02 2.10 1of0A1 GLN 38 HG2 0.07 -0.04 -0.04 -0.04 2.40 2.35 1of0A1 GLN 38 HG3 0.06 0.14 -0.10 -0.04 2.39 2.45 1of0A1 GLN 38 HE21 0.04 -0.04 0.08 -0.04 6.97 7.01 1of0A1 GLN 38 HE22 0.07 0.33 0.13 -0.04 7.69 8.18 1of0A1 LEU 39 H 0.08 0.20 0.18 -0.55 8.37 8.29 1of0A1 LEU 39 HA 0.07 0.40 0.81 -0.75 4.35 4.88 1of0A1 LEU 39 HB2 0.06 -0.03 0.02 -0.04 1.64 1.64 1of0A1 LEU 39 HB3 0.06 -0.07 0.03 -0.04 1.64 1.63 1of0A1 LEU 39 HG 0.09 0.06 -0.04 -0.04 1.64 1.72 1of0A1 LEU 39 HD13 0.03 -0.01 -0.09 -0.04 0.93 0.82 1of0A1 LEU 39 HD23 0.24 0.02 -0.15 -0.04 0.89 0.96 1of0A1 HIS 40 H 0.11 0.20 -0.04 -0.55 8.41 8.14 1of0A1 HIS 40 HA 0.03 0.14 0.53 -0.75 4.63 4.57 1of0A1 HIS 40 HB2 -0.00 0.12 -0.18 -0.04 3.26 3.16 1of0A1 HIS 40 HB3 0.02 -0.01 -0.09 -0.04 3.20 3.07 1of0A1 HIS 40 HD2 0.09 0.09 -0.04 -0.04 6.97 7.07 1of0A1 HIS 40 HE1 0.06 0.02 0.03 -0.04 7.75 7.81 1of0A1 ARG 41 H -0.61 0.18 0.08 -0.55 8.46 7.55 1of0A1 ARG 41 HA -0.01 0.09 0.35 -0.75 4.34 4.02 1of0A1 ARG 41 HB2 -0.14 0.05 0.05 -0.04 1.90 1.82 1of0A1 ARG 41 HB3 -0.15 -0.04 0.06 -0.04 1.80 1.62 1of0A1 ARG 41 HG2 0.04 0.02 -0.18 -0.04 1.67 1.50 1of0A1 ARG 41 HG3 0.01 0.01 0.04 -0.04 1.67 1.68 1of0A1 ARG 41 HD2 0.03 -0.02 -0.03 -0.04 3.22 3.16 1of0A1 ARG 41 HD3 0.01 0.07 -0.02 -0.04 3.22 3.24 1of0A1 ASP 42 H 0.93 0.02 -0.30 -0.55 8.40 8.50 1of0A1 ASP 42 HA 0.11 0.25 0.85 -0.75 4.63 5.09 1of0A1 ASP 42 HB2 0.09 -0.02 0.05 -0.04 2.71 2.79 1of0A1 ASP 42 HB3 0.08 0.02 0.15 -0.04 2.70 2.91 1of0A1 LEU 43 H 0.15 0.49 -0.31 -0.55 8.37 8.16 1of0A1 LEU 43 HA 0.04 0.23 0.99 -0.75 4.35 4.86 1of0A1 LEU 43 HB2 0.10 -0.11 0.08 -0.04 1.64 1.66 1of0A1 LEU 43 HB3 0.05 0.25 0.03 -0.04 1.64 1.92 1of0A1 LEU 43 HG -0.02 -0.13 -0.25 -0.04 1.64 1.20 1of0A1 LEU 43 HD13 0.03 -0.02 -0.11 -0.04 0.93 0.79 1of0A1 LEU 43 HD23 -0.00 0.03 -0.02 -0.04 0.89 0.85 1of0A1 PRO 44 HA 0.03 0.03 0.47 -0.51 4.44 4.46 1of0A1 PRO 44 HB2 0.02 0.26 -0.03 -0.04 2.28 2.48 1of0A1 PRO 44 HB3 0.02 -0.07 0.11 -0.04 2.02 2.04 1of0A1 PRO 44 HG2 0.02 -0.00 0.00 -0.04 2.03 2.01 1of0A1 PRO 44 HG3 0.02 -0.03 0.02 -0.04 2.03 2.00 1of0A1 PRO 44 HD2 0.02 0.07 -0.04 -0.04 3.68 3.69 1of0A1 PRO 44 HD3 0.03 0.16 0.22 -0.04 3.65 4.01 1of0A1 PRO 45 HA 0.04 0.05 0.25 -0.51 4.44 4.27 1of0A1 PRO 45 HB2 -0.01 -0.02 -0.07 -0.04 2.28 2.14 1of0A1 PRO 45 HB3 -0.00 -0.02 -0.12 -0.04 2.02 1.84 1of0A1 PRO 45 HG2 0.01 -0.00 0.02 -0.04 2.03 2.02 1of0A1 PRO 45 HG3 0.02 0.05 0.01 -0.04 2.03 2.06 1of0A1 PRO 45 HD2 0.01 0.06 0.17 -0.04 3.68 3.88 1of0A1 PRO 45 HD3 0.02 0.11 0.20 -0.04 3.65 3.94 1of0A1 THR 46 H 0.03 0.57 0.28 -0.55 8.28 8.62 1of0A1 THR 46 HA -0.00 0.17 0.89 -0.75 4.39 4.69 1of0A1 THR 46 HB 0.04 0.02 0.16 -0.04 4.32 4.50 1of0A1 THR 46 HG23 -0.01 -0.03 -0.07 -0.04 1.22 1.07 1of0A1 ARG 47 H -0.06 0.10 0.16 -0.55 8.46 8.11 1of0A1 ARG 47 HA -0.13 0.19 0.75 -0.75 4.34 4.39 1of0A1 ARG 47 HB2 -0.13 -0.03 0.07 -0.04 1.90 1.78 1of0A1 ARG 47 HB3 -0.21 -0.06 0.20 -0.04 1.80 1.68 1of0A1 ARG 47 HG2 -0.25 0.14 -0.00 -0.04 1.67 1.51 1of0A1 ARG 47 HG3 -0.21 -0.06 -0.02 -0.04 1.67 1.34 1of0A1 ARG 47 HD2 -1.39 0.02 -0.27 -0.04 3.22 1.54 1of0A1 ARG 47 HD3 -0.88 -0.04 -0.12 -0.04 3.22 2.14 1of0A1 LEU 48 H -0.09 0.99 0.52 -0.55 8.37 9.23 1of0A1 LEU 48 HA -0.12 0.16 0.94 -0.75 4.35 4.58 1of0A1 LEU 48 HB2 0.10 -0.05 -0.14 -0.04 1.64 1.51 1of0A1 LEU 48 HB3 -0.10 0.17 0.11 -0.04 1.64 1.78 1of0A1 LEU 48 HG -0.03 -0.06 -0.52 -0.04 1.64 0.99 1of0A1 LEU 48 HD13 0.02 -0.01 -0.12 -0.04 0.93 0.77 1of0A1 LEU 48 HD23 -0.28 0.03 -0.05 -0.04 0.89 0.56 1of0A1 TRP 49 H 0.13 0.71 0.19 -0.55 7.97 8.46 1of0A1 TRP 49 HA -0.08 0.15 0.79 -0.75 4.62 4.73 1of0A1 TRP 49 HB2 0.01 0.02 -0.04 -0.04 3.23 3.18 1of0A1 TRP 49 HB3 -0.08 -0.08 -0.17 -0.04 3.23 2.87 1of0A1 TRP 49 HD1 -0.21 0.21 -0.35 -0.04 7.22 6.83 1of0A1 TRP 49 HE1 -0.17 0.02 -0.07 -0.04 10.20 9.94 1of0A1 TRP 49 HE3 -0.11 0.01 -0.08 -0.04 7.59 7.37 1of0A1 TRP 49 HZ2 -0.10 0.15 -0.06 -0.04 7.44 7.39 1of0A1 TRP 49 HZ3 -0.41 -0.00 -0.10 -0.04 7.13 6.57 1of0A1 TRP 49 HH2 -0.79 -0.01 -0.17 -0.04 7.19 6.17 1of0A1 GLY 50 H 0.07 0.65 0.20 -0.55 8.43 8.81 1of0A1 GLY 50 HA2 0.06 0.24 0.71 -0.51 4.01 4.51 1of0A1 GLY 50 HA3 0.18 0.16 -0.02 -0.51 4.01 3.82 1of0A1 TYR 51 H 0.14 0.31 0.14 -0.55 8.29 8.32 1of0A1 TYR 51 HA 0.22 -0.03 0.34 -0.75 4.56 4.34 1of0A1 TYR 51 HB2 0.36 0.07 0.17 -0.04 3.06 3.62 1of0A1 TYR 51 HB3 0.39 -0.00 -0.05 -0.04 2.98 3.27 1of0A1 TYR 51 HD2 0.34 0.05 -0.15 -0.04 7.15 7.35 1of0A1 TYR 51 HE2 0.16 0.04 -0.45 -0.04 6.85 6.56 1of0A1 ASN 52 H 0.22 0.63 0.30 -0.55 8.53 9.14 1of0A1 ASN 52 HA 0.12 -0.01 0.41 -0.75 4.76 4.52 1of0A1 ASN 52 HB2 0.18 0.15 -0.18 -0.04 2.88 2.99 1of0A1 ASN 52 HB3 0.11 0.03 0.24 -0.04 2.79 3.13 1of0A1 ASN 52 HD21 0.05 0.11 0.11 -0.04 7.03 7.26 1of0A1 ASN 52 HD22 0.08 0.03 0.05 -0.04 7.74 7.85 1of0A1 GLY 53 H 0.13 0.50 -0.41 -0.55 8.43 8.10 1of0A1 GLY 53 HA2 0.13 0.03 0.13 -0.51 4.01 3.79 1of0A1 GLY 53 HA3 0.12 0.02 0.33 -0.51 4.01 3.97 1of0A1 LEU 54 H 0.20 0.34 -0.58 -0.55 8.37 7.79 1of0A1 LEU 54 HA 0.07 0.15 0.84 -0.75 4.35 4.65 1of0A1 LEU 54 HB2 0.15 0.00 0.02 -0.04 1.64 1.77 1of0A1 LEU 54 HB3 0.04 0.12 -0.06 -0.04 1.64 1.70 1of0A1 LEU 54 HG 0.12 0.12 -0.35 -0.04 1.64 1.49 1of0A1 LEU 54 HD13 0.09 -0.04 -0.04 -0.04 0.93 0.89 1of0A1 LEU 54 HD23 0.06 0.01 -0.07 -0.04 0.89 0.85 1of0A1 PHE 55 H -0.16 0.19 -0.00 -0.55 8.34 7.82 1of0A1 PHE 55 HA 0.03 0.08 0.77 -0.75 4.62 4.75 1of0A1 PHE 55 HB2 0.06 0.04 -0.15 -0.04 3.15 3.06 1of0A1 PHE 55 HB3 -0.08 -0.03 0.03 -0.04 3.06 2.95 1of0A1 PHE 55 HD2 0.01 0.12 0.07 -0.04 7.28 7.44 1of0A1 PHE 55 HE2 -0.03 -0.03 -0.09 -0.04 7.38 7.18 1of0A1 PHE 55 HZ -0.07 -0.06 -0.13 -0.04 7.32 7.02 1of0A1 PRO 56 HA 0.04 0.13 0.39 -0.51 4.44 4.49 1of0A1 PRO 56 HB2 -0.07 0.12 -0.03 -0.04 2.28 2.26 1of0A1 PRO 56 HB3 -0.07 -0.03 0.01 -0.04 2.02 1.89 1of0A1 PRO 56 HG2 -0.22 -0.05 0.05 -0.04 2.03 1.77 1of0A1 PRO 56 HG3 -0.50 -0.05 -0.05 -0.04 2.03 1.39 1of0A1 PRO 56 HD2 -0.22 0.08 0.06 -0.04 3.68 3.57 1of0A1 PRO 56 HD3 -0.49 0.24 -0.13 -0.04 3.65 3.22 1of0A1 GLY 57 H 0.19 0.69 0.45 -0.55 8.43 9.22 1of0A1 GLY 57 HA2 0.28 0.22 0.48 -0.51 4.01 4.48 1of0A1 GLY 57 HA3 0.45 -0.12 0.37 -0.51 4.01 4.20 1of0A1 PRO 58 HA 0.10 0.09 0.41 -0.51 4.44 4.53 1of0A1 PRO 58 HB2 0.08 0.01 -0.09 -0.04 2.28 2.24 1of0A1 PRO 58 HB3 0.10 0.01 0.03 -0.04 2.02 2.11 1of0A1 PRO 58 HG2 0.16 -0.04 -0.07 -0.04 2.03 2.05 1of0A1 PRO 58 HG3 0.12 -0.01 -0.03 -0.04 2.03 2.08 1of0A1 PRO 58 HD2 0.38 -0.05 0.10 -0.04 3.68 4.07 1of0A1 PRO 58 HD3 0.21 0.25 0.11 -0.04 3.65 4.19 1of0A1 THR 59 H 0.07 0.48 0.13 -0.55 8.28 8.41 1of0A1 THR 59 HA 0.14 0.22 0.68 -0.75 4.39 4.67 1of0A1 THR 59 HB 0.04 0.04 -0.06 -0.04 4.32 4.30 1of0A1 THR 59 HG23 0.03 -0.03 -0.29 -0.04 1.22 0.89 1of0A1 ILE 60 H 0.09 0.60 0.32 -0.55 8.25 8.71 1of0A1 ILE 60 HA -0.18 0.11 0.85 -0.75 4.18 4.21 1of0A1 ILE 60 HB -0.14 -0.03 0.09 -0.04 1.89 1.77 1of0A1 ILE 60 HG12 -0.35 -0.01 -0.20 -0.04 1.49 0.89 1of0A1 ILE 60 HG13 0.04 0.19 -0.22 -0.04 1.21 1.17 1of0A1 ILE 60 HG23 -0.60 -0.01 -0.26 -0.04 0.93 0.02 1of0A1 ILE 60 HD13 -0.30 -0.03 -0.19 -0.04 0.88 0.33 1of0A1 GLU 61 H -0.11 0.26 0.13 -0.55 8.60 8.33 1of0A1 GLU 61 HA -0.22 0.26 1.07 -0.75 4.29 4.65 1of0A1 GLU 61 HB2 0.05 -0.00 0.09 -0.04 2.09 2.18 1of0A1 GLU 61 HB3 0.17 0.01 -0.04 -0.04 1.99 2.09 1of0A1 GLU 61 HG2 0.04 0.03 -0.14 -0.04 2.34 2.23 1of0A1 GLU 61 HG3 0.02 -0.02 -0.35 -0.04 2.34 1.94 1of0A1 VAL 62 H -0.23 0.77 0.37 -0.55 8.24 8.61 1of0A1 VAL 62 HA 0.03 0.15 0.88 -0.75 4.13 4.45 1of0A1 VAL 62 HB 0.05 0.02 0.06 -0.04 2.12 2.20 1of0A1 VAL 62 HG13 -0.16 -0.00 -0.36 -0.04 0.97 0.41 1of0A1 VAL 62 HG23 -0.04 0.02 -0.27 -0.04 0.95 0.62 1of0A1 LYS 63 H 0.06 0.14 0.18 -0.55 8.42 8.25 1of0A1 LYS 63 HA 0.09 0.24 1.01 -0.75 4.32 4.90 1of0A1 LYS 63 HB2 0.05 0.00 0.06 -0.04 1.87 1.94 1of0A1 LYS 63 HB3 0.05 0.04 0.19 -0.04 1.79 2.04 1of0A1 LYS 63 HG2 0.08 0.01 -0.03 -0.04 1.46 1.47 1of0A1 LYS 63 HG3 0.06 -0.04 -0.02 -0.04 1.46 1.42 1of0A1 LYS 63 HD2 0.04 0.03 0.01 -0.04 1.69 1.73 1of0A1 LYS 63 HD3 0.03 -0.02 0.03 -0.04 1.68 1.68 1of0A1 LYS 63 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 1of0A1 LYS 63 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 1of0A1 ARG 64 H 0.05 0.36 0.27 -0.55 8.46 8.58 1of0A1 ARG 64 HA 0.03 0.16 0.51 -0.75 4.34 4.29 1of0A1 ARG 64 HB2 0.02 -0.06 0.07 -0.04 1.90 1.89 1of0A1 ARG 64 HB3 0.02 -0.12 0.20 -0.04 1.80 1.87 1of0A1 ARG 64 HG2 0.01 -0.03 -0.09 -0.04 1.67 1.52 1of0A1 ARG 64 HG3 0.00 0.16 0.22 -0.04 1.67 2.01 1of0A1 ARG 64 HD2 -0.01 -0.04 0.06 -0.04 3.22 3.18 1of0A1 ARG 64 HD3 0.00 -0.13 0.02 -0.04 3.22 3.07 1of0A1 ASN 65 H 0.03 0.97 0.40 -0.55 8.53 9.39 1of0A1 ASN 65 HA 0.03 0.11 0.22 -0.75 4.76 4.36 1of0A1 ASN 65 HB2 0.03 0.18 0.08 -0.04 2.88 3.13 1of0A1 ASN 65 HB3 0.03 -0.07 0.16 -0.04 2.79 2.87 1of0A1 ASN 65 HD21 0.00 -0.04 -0.06 -0.04 7.03 6.89 1of0A1 ASN 65 HD22 0.01 0.00 -0.07 -0.04 7.74 7.64 1of0A1 GLU 66 H 0.06 0.40 -0.39 -0.55 8.60 8.13 1of0A1 GLU 66 HA 0.07 0.00 0.45 -0.75 4.29 4.06 1of0A1 GLU 66 HB2 0.07 -0.06 0.10 -0.04 2.09 2.16 1of0A1 GLU 66 HB3 0.09 -0.01 0.04 -0.04 1.99 2.08 1of0A1 GLU 66 HG2 0.10 0.02 -0.24 -0.04 2.34 2.18 1of0A1 GLU 66 HG3 0.07 0.02 -0.01 -0.04 2.34 2.38 1of0A1 ASN 67 H 0.09 0.12 0.09 -0.55 8.53 8.28 1of0A1 ASN 67 HA 0.11 0.11 0.59 -0.75 4.76 4.82 1of0A1 ASN 67 HB2 0.12 0.04 0.16 -0.04 2.88 3.16 1of0A1 ASN 67 HB3 0.14 0.03 0.26 -0.04 2.79 3.19 1of0A1 ASN 67 HD21 0.32 -0.10 -0.01 -0.04 7.03 7.19 1of0A1 ASN 67 HD22 0.19 0.37 0.24 -0.04 7.74 8.49 1of0A1 VAL 68 H 0.10 0.62 0.18 -0.55 8.24 8.58 1of0A1 VAL 68 HA 0.21 0.22 1.11 -0.75 4.13 4.92 1of0A1 VAL 68 HB 0.29 0.11 0.06 -0.04 2.12 2.53 1of0A1 VAL 68 HG13 0.38 -0.03 -0.25 -0.04 0.97 1.03 1of0A1 VAL 68 HG23 0.20 0.00 -0.24 -0.04 0.95 0.87 1of0A1 TYR 69 H 0.32 0.66 0.41 -0.55 8.29 9.14 1of0A1 TYR 69 HA 0.11 0.35 1.03 -0.75 4.56 5.29 1of0A1 TYR 69 HB2 0.22 -0.03 0.15 -0.04 3.06 3.35 1of0A1 TYR 69 HB3 0.18 -0.03 -0.04 -0.04 2.98 3.04 1of0A1 TYR 69 HD2 0.03 0.07 -0.23 -0.04 7.15 6.97 1of0A1 TYR 69 HE2 -0.22 0.00 -0.13 -0.04 6.85 6.47 1of0A1 VAL 70 H 0.04 0.57 0.18 -0.55 8.24 8.49 1of0A1 VAL 70 HA -0.23 0.22 0.96 -0.75 4.13 4.33 1of0A1 VAL 70 HB -0.28 -0.01 -0.01 -0.04 2.12 1.79 1of0A1 VAL 70 HG13 -1.95 -0.02 -0.37 -0.04 0.97 -1.41 1of0A1 VAL 70 HG23 0.00 -0.00 -0.31 -0.04 0.95 0.60 1of0A1 LYS 71 H -0.33 0.64 0.23 -0.55 8.42 8.40 1of0A1 LYS 71 HA -0.01 0.20 0.95 -0.75 4.32 4.72 1of0A1 LYS 71 HB2 0.18 -0.02 0.04 -0.04 1.87 2.02 1of0A1 LYS 71 HB3 -0.03 -0.04 0.26 -0.04 1.79 1.94 1of0A1 LYS 71 HG2 0.16 0.01 -0.27 -0.04 1.46 1.32 1of0A1 LYS 71 HG3 0.14 0.04 -0.21 -0.04 1.46 1.38 1of0A1 LYS 71 HD2 0.18 -0.02 -0.07 -0.04 1.69 1.75 1of0A1 LYS 71 HD3 0.16 -0.03 -0.05 -0.04 1.68 1.73 1of0A1 LYS 71 HE2 0.26 -0.00 -0.10 -0.04 2.99 3.10 1of0A1 LYS 71 HE3 0.16 -0.00 -0.10 -0.04 2.99 3.01 1of0A1 TRP 72 H 0.02 0.30 0.14 -0.55 7.97 7.88 1of0A1 TRP 72 HA 0.06 0.12 0.66 -0.75 4.62 4.70 1of0A1 TRP 72 HB2 0.03 0.02 0.14 -0.04 3.23 3.38 1of0A1 TRP 72 HB3 0.17 -0.04 -0.05 -0.04 3.23 3.28 1of0A1 TRP 72 HD1 -0.59 0.06 0.10 -0.04 7.22 6.76 1of0A1 TRP 72 HE1 0.31 0.03 -0.08 -0.04 10.20 10.42 1of0A1 TRP 72 HE3 -0.08 -0.00 -0.15 -0.04 7.59 7.32 1of0A1 TRP 72 HZ2 -0.10 0.02 -0.21 -0.04 7.44 7.11 1of0A1 TRP 72 HZ3 -0.85 0.02 -0.20 -0.04 7.13 6.06 1of0A1 TRP 72 HH2 -1.34 0.05 -0.22 -0.04 7.19 5.64 1of0A1 MET 73 H 0.24 0.70 0.44 -0.55 8.47 9.30 1of0A1 MET 73 HA -0.14 0.21 0.98 -0.75 4.52 4.81 1of0A1 MET 73 HB2 0.05 -0.04 0.04 -0.04 2.15 2.15 1of0A1 MET 73 HB3 -0.08 -0.02 -0.03 -0.04 2.03 1.86 1of0A1 MET 73 HG2 0.16 0.04 -0.22 -0.04 2.63 2.57 1of0A1 MET 73 HG3 0.11 0.14 -0.38 -0.04 2.56 2.38 1of0A1 MET 73 HE3 0.03 0.02 -0.12 -0.04 2.10 2.00 1of0A1 ASN 74 H -0.15 0.21 0.14 -0.55 8.53 8.18 1of0A1 ASN 74 HA 0.01 0.09 0.80 -0.75 4.76 4.90 1of0A1 ASN 74 HB2 0.19 0.09 -0.10 -0.04 2.88 3.01 1of0A1 ASN 74 HB3 0.06 0.04 -0.04 -0.04 2.79 2.81 1of0A1 ASN 74 HD21 -0.16 0.06 -0.18 -0.04 7.03 6.71 1of0A1 ASN 74 HD22 -0.14 0.25 -0.06 -0.04 7.74 7.75 1of0A1 ASN 75 H -0.11 0.44 0.14 -0.55 8.53 8.46 1of0A1 ASN 75 HA -0.09 0.12 0.85 -0.75 4.76 4.88 1of0A1 ASN 75 HB2 -0.05 -0.08 -0.13 -0.04 2.88 2.58 1of0A1 ASN 75 HB3 -0.06 0.15 0.10 -0.04 2.79 2.94 1of0A1 ASN 75 HD21 -0.03 -0.02 0.04 -0.04 7.03 6.97 1of0A1 ASN 75 HD22 -0.04 0.02 0.04 -0.04 7.74 7.72 1of0A1 LEU 76 H -0.25 -0.02 -0.11 -0.55 8.37 7.44 1of0A1 LEU 76 HA -0.41 0.08 0.62 -0.75 4.35 3.89 1of0A1 LEU 76 HB2 -0.61 0.01 -0.06 -0.04 1.64 0.94 1of0A1 LEU 76 HB3 -1.22 0.09 0.03 -0.04 1.64 0.50 1of0A1 LEU 76 HG -0.47 -0.14 -0.16 -0.04 1.64 0.84 1of0A1 LEU 76 HD13 -1.20 0.01 -0.16 -0.04 0.93 -0.46 1of0A1 LEU 76 HD23 -0.99 -0.00 -0.35 -0.04 0.89 -0.50 1of0A1 PRO 77 HA -0.07 0.06 0.44 -0.51 4.44 4.36 1of0A1 PRO 77 HB2 0.09 0.24 0.05 -0.04 2.28 2.62 1of0A1 PRO 77 HB3 0.02 -0.02 0.15 -0.04 2.02 2.13 1of0A1 PRO 77 HG2 0.08 0.08 0.07 -0.04 2.03 2.22 1of0A1 PRO 77 HG3 -0.05 0.05 0.09 -0.04 2.03 2.07 1of0A1 PRO 77 HD2 -0.45 0.11 0.13 -0.04 3.68 3.44 1of0A1 PRO 77 HD3 -0.35 0.06 0.22 -0.04 3.65 3.55 1of0A1 SER 78 H -0.01 0.11 0.17 -0.55 8.46 8.18 1of0A1 SER 78 HA -0.03 0.13 0.60 -0.75 4.49 4.44 1of0A1 SER 78 HB2 0.01 -0.00 0.10 -0.04 3.95 4.01 1of0A1 SER 78 HB3 0.01 -0.02 0.13 -0.04 3.93 4.00 1of0A1 THR 79 H 0.07 0.08 -0.13 -0.55 8.28 7.74 1of0A1 THR 79 HA 0.09 0.15 0.91 -0.75 4.39 4.79 1of0A1 THR 79 HB 0.09 0.10 0.05 -0.04 4.32 4.53 1of0A1 THR 79 HG23 0.05 -0.02 -0.10 -0.04 1.22 1.11 1of0A1 HIS 80 H 0.20 0.10 0.05 -0.55 8.41 8.22 1of0A1 HIS 80 HA 0.45 0.11 0.43 -0.75 4.63 4.86 1of0A1 HIS 80 HB2 0.01 0.03 0.01 -0.04 3.26 3.27 1of0A1 HIS 80 HB3 -0.13 0.15 -0.02 -0.04 3.20 3.16 1of0A1 HIS 80 HD2 -0.03 0.07 -0.07 -0.04 6.97 6.89 1of0A1 HIS 80 HE1 -1.07 0.11 -0.18 -0.04 7.75 6.57 1of0A1 PHE 81 H 0.11 0.07 0.13 -0.55 8.34 8.09 1of0A1 PHE 81 HA -0.01 0.22 0.86 -0.75 4.62 4.94 1of0A1 PHE 81 HB2 -0.06 0.00 0.12 -0.04 3.15 3.18 1of0A1 PHE 81 HB3 -0.00 0.01 -0.08 -0.04 3.06 2.96 1of0A1 PHE 81 HD2 -0.38 -0.05 -0.03 -0.04 7.28 6.78 1of0A1 PHE 81 HE2 -1.51 0.00 -0.02 -0.04 7.38 5.82 1of0A1 PHE 81 HZ -0.52 0.07 0.06 -0.04 7.32 6.89 1of0A1 LEU 82 H -0.44 -0.07 0.05 -0.55 8.37 7.36 1of0A1 LEU 82 HA -0.45 0.24 0.78 -0.75 4.35 4.17 1of0A1 LEU 82 HB2 -1.08 -0.09 -0.06 -0.04 1.64 0.37 1of0A1 LEU 82 HB3 -0.74 0.10 -0.00 -0.04 1.64 0.96 1of0A1 LEU 82 HG -1.77 -0.13 -0.14 -0.04 1.64 -0.43 1of0A1 LEU 82 HD13 -0.64 0.00 -0.09 -0.04 0.93 0.16 1of0A1 LEU 82 HD23 -0.50 0.05 -0.14 -0.04 0.89 0.26 1of0A1 PRO 83 HA -0.19 0.02 0.41 -0.51 4.44 4.17 1of0A1 PRO 83 HB2 -0.15 0.07 0.05 -0.04 2.28 2.22 1of0A1 PRO 83 HB3 -0.14 0.01 0.06 -0.04 2.02 1.91 1of0A1 PRO 83 HG2 -0.19 0.23 -0.11 -0.04 2.03 1.91 1of0A1 PRO 83 HG3 -0.17 0.00 0.04 -0.04 2.03 1.86 1of0A1 PRO 83 HD2 -0.28 0.08 0.08 -0.04 3.68 3.51 1of0A1 PRO 83 HD3 -0.30 0.12 0.21 -0.04 3.65 3.64 1of0A1 ILE 84 H -0.20 0.17 0.19 -0.55 8.25 7.86 1of0A1 ILE 84 HA -0.35 0.15 0.83 -0.75 4.18 4.06 1of0A1 ILE 84 HB -0.28 -0.02 0.12 -0.04 1.89 1.66 1of0A1 ILE 84 HG12 -0.40 0.01 -0.09 -0.04 1.49 0.97 1of0A1 ILE 84 HG13 -0.38 0.11 -0.14 -0.04 1.21 0.76 1of0A1 ILE 84 HG23 -0.65 -0.00 -0.30 -0.04 0.93 -0.07 1of0A1 ILE 84 HD13 -0.09 -0.01 -0.04 -0.04 0.88 0.70 1of0A1 ASP 85 H -0.28 0.21 0.06 -0.55 8.40 7.84 1of0A1 ASP 85 HA -0.14 0.25 0.63 -0.75 4.63 4.62 1of0A1 ASP 85 HB2 -0.18 0.04 -0.24 -0.04 2.71 2.29 1of0A1 ASP 85 HB3 -0.22 0.02 0.14 -0.04 2.70 2.61 1of0A1 HIS 86 H 0.09 0.28 0.11 -0.55 8.41 8.34 1of0A1 HIS 86 HA -0.05 0.17 0.54 -0.75 4.63 4.53 1of0A1 HIS 86 HB2 -0.04 0.00 0.06 -0.04 3.26 3.24 1of0A1 HIS 86 HB3 -0.02 0.04 0.15 -0.04 3.20 3.32 1of0A1 HIS 86 HD2 -0.04 0.03 -0.01 -0.04 6.97 6.91 1of0A1 HIS 86 HE1 -0.06 0.01 0.05 -0.04 7.75 7.70 1of0A1 THR 87 H -0.05 0.05 -0.34 -0.55 8.28 7.39 1of0A1 THR 87 HA 0.06 0.26 0.73 -0.75 4.39 4.69 1of0A1 THR 87 HB 0.11 -0.00 0.11 -0.04 4.32 4.50 1of0A1 THR 87 HG23 -0.09 0.00 -0.02 -0.04 1.22 1.07 1of0A1 ILE 88 H -0.09 0.22 -0.21 -0.55 8.25 7.61 1of0A1 ILE 88 HA -0.03 0.12 0.64 -0.75 4.18 4.16 1of0A1 ILE 88 HB -0.22 0.05 0.16 -0.04 1.89 1.84 1of0A1 ILE 88 HG12 -0.16 0.17 0.10 -0.04 1.49 1.56 1of0A1 ILE 88 HG13 -0.06 0.01 -0.16 -0.04 1.21 0.97 1of0A1 ILE 88 HG23 -0.70 -0.03 -0.01 -0.04 0.93 0.15 1of0A1 ILE 88 HD13 -0.19 0.03 0.06 -0.04 0.88 0.74 1of0A1 HIS 89 H 0.09 0.28 -0.43 -0.55 8.41 7.81 1of0A1 HIS 89 HA 0.10 0.18 0.53 -0.75 4.63 4.68 1of0A1 HIS 89 HB2 -0.00 0.05 -0.23 -0.04 3.26 3.04 1of0A1 HIS 89 HB3 -0.03 0.04 -0.06 -0.04 3.20 3.11 1of0A1 HIS 89 HD2 0.09 -0.02 -0.02 -0.04 6.97 6.97 1of0A1 HIS 89 HE1 0.13 0.01 0.02 -0.04 7.75 7.86 1of0A1 GLU 97 HA 0.13 -0.04 0.16 -0.75 4.29 3.79 1of0A1 GLU 97 HB2 0.05 -0.05 0.35 -0.04 2.09 2.39 1of0A1 GLU 97 HB3 -0.05 0.09 -0.21 -0.04 1.99 1.77 1of0A1 GLU 97 HG2 0.15 -0.04 0.11 -0.04 2.34 2.52 1of0A1 GLU 97 HG3 0.15 -0.01 0.68 -0.04 2.34 3.12 1of0A1 PRO 98 HA -0.01 0.03 0.45 -0.51 4.44 4.40 1of0A1 PRO 98 HB2 -0.03 -0.00 -0.04 -0.04 2.28 2.16 1of0A1 PRO 98 HB3 0.04 -0.00 0.06 -0.04 2.02 2.08 1of0A1 PRO 98 HG2 -0.32 0.04 -0.23 -0.04 2.03 1.47 1of0A1 PRO 98 HG3 0.17 -0.04 -0.08 -0.04 2.03 2.04 1of0A1 PRO 98 HD2 -0.01 0.08 0.02 -0.04 3.68 3.74 1of0A1 PRO 98 HD3 0.18 0.11 0.04 -0.04 3.65 3.94 1of0A1 GLU 99 H -0.02 0.10 0.17 -0.55 8.60 8.31 1of0A1 GLU 99 HA -0.06 0.13 0.38 -0.75 4.29 3.99 1of0A1 GLU 99 HB2 0.03 0.01 0.15 -0.04 2.09 2.24 1of0A1 GLU 99 HB3 0.02 0.17 0.25 -0.04 1.99 2.39 1of0A1 GLU 99 HG2 0.07 -0.06 -0.22 -0.04 2.34 2.09 1of0A1 GLU 99 HG3 0.01 0.03 0.02 -0.04 2.34 2.36 1of0A1 VAL 100 H -0.04 0.13 -0.09 -0.55 8.24 7.68 1of0A1 VAL 100 HA 0.00 0.13 0.71 -0.75 4.13 4.22 1of0A1 VAL 100 HB -0.07 -0.02 0.05 -0.04 2.12 2.04 1of0A1 VAL 100 HG13 -0.18 -0.00 -0.27 -0.04 0.97 0.47 1of0A1 VAL 100 HG23 0.11 0.06 -0.48 -0.04 0.95 0.61 1of0A1 LYS 101 H -0.16 0.25 0.07 -0.55 8.42 8.03 1of0A1 LYS 101 HA -0.14 0.20 0.70 -0.75 4.32 4.32 1of0A1 LYS 101 HB2 -0.50 -0.01 -0.06 -0.04 1.87 1.27 1of0A1 LYS 101 HB3 -0.55 -0.09 -0.12 -0.04 1.79 0.99 1of0A1 LYS 101 HG2 -1.52 -0.03 -0.32 -0.04 1.46 -0.45 1of0A1 LYS 101 HG3 -0.62 0.08 -0.57 -0.04 1.46 0.32 1of0A1 LYS 101 HD2 -0.85 0.03 -0.13 -0.04 1.69 0.70 1of0A1 LYS 101 HD3 -2.50 -0.10 -0.13 -0.04 1.68 -1.10 1of0A1 LYS 101 HE2 -1.19 -0.09 -0.18 -0.04 2.99 1.49 1of0A1 LYS 101 HE3 -0.57 0.45 -0.21 -0.04 2.99 2.62 1of0A1 THR 102 H -0.19 0.46 0.27 -0.55 8.28 8.27 1of0A1 THR 102 HA -0.10 0.08 0.81 -0.75 4.39 4.43 1of0A1 THR 102 HB -0.15 -0.05 -0.08 -0.04 4.32 4.00 1of0A1 THR 102 HG23 -0.13 -0.01 -0.36 -0.04 1.22 0.68 1of0A1 VAL 103 H -0.04 0.15 0.10 -0.55 8.24 7.90 1of0A1 VAL 103 HA 0.04 0.17 0.45 -0.75 4.13 4.04 1of0A1 VAL 103 HB 0.18 -0.02 -0.40 -0.04 2.12 1.84 1of0A1 VAL 103 HG13 0.14 0.01 -0.49 -0.04 0.97 0.60 1of0A1 VAL 103 HG23 0.35 0.07 -0.25 -0.04 0.95 1.08 1of0A1 VAL 104 H -0.02 0.21 0.02 -0.55 8.24 7.89 1of0A1 VAL 104 HA -0.16 0.20 0.76 -0.75 4.13 4.17 1of0A1 VAL 104 HB -1.63 0.01 0.01 -0.04 2.12 0.47 1of0A1 VAL 104 HG13 -1.73 0.00 -0.35 -0.04 0.97 -1.14 1of0A1 VAL 104 HG23 -0.15 -0.02 -0.21 -0.04 0.95 0.54 1of0A1 HIS 105 H -0.17 0.73 0.26 -0.55 8.41 8.70 1of0A1 HIS 105 HA -0.01 0.22 0.75 -0.75 4.63 4.84 1of0A1 HIS 105 HB2 0.05 0.13 -0.02 -0.04 3.26 3.38 1of0A1 HIS 105 HB3 -0.21 0.02 0.06 -0.04 3.20 3.03 1of0A1 HIS 105 HD2 0.01 -0.01 -0.12 -0.04 6.97 6.79 1of0A1 HIS 105 HE1 -0.27 -0.07 -0.05 -0.04 7.75 7.32 1of0A1 LEU 106 H -0.11 0.26 -0.01 -0.55 8.37 7.97 1of0A1 LEU 106 HA -0.46 0.11 0.60 -0.75 4.35 3.85 1of0A1 LEU 106 HB2 -0.54 -0.01 -0.07 -0.04 1.64 0.99 1of0A1 LEU 106 HB3 -0.30 0.00 0.12 -0.04 1.64 1.42 1of0A1 LEU 106 HG -0.53 -0.02 -0.29 -0.04 1.64 0.76 1of0A1 LEU 106 HD13 -0.84 0.03 -0.28 -0.04 0.93 -0.20 1of0A1 LEU 106 HD23 -1.38 -0.01 -0.16 -0.04 0.89 -0.71 1of0A1 HIS 107 H -0.70 0.50 0.26 -0.55 8.41 7.93 1of0A1 HIS 107 HA -0.57 -0.04 0.40 -0.75 4.63 3.67 1of0A1 HIS 107 HB2 -0.74 0.01 0.10 -0.04 3.26 2.59 1of0A1 HIS 107 HB3 -0.74 0.04 0.22 -0.04 3.20 2.68 1of0A1 HIS 107 HD2 -0.00 0.04 -0.43 -0.04 6.97 6.54 1of0A1 HIS 107 HE1 -0.37 -0.02 -0.08 -0.04 7.75 7.24 1of0A1 GLY 108 H -0.04 0.13 0.17 -0.55 8.43 8.15 1of0A1 GLY 108 HA2 0.11 0.04 0.26 -0.51 4.01 3.92 1of0A1 GLY 108 HA3 0.11 0.17 0.63 -0.51 4.01 4.40 1of0A1 GLY 109 H -0.14 0.46 -0.22 -0.55 8.43 7.98 1of0A1 GLY 109 HA2 -0.09 0.02 0.34 -0.51 4.01 3.77 1of0A1 GLY 109 HA3 -0.13 0.01 0.18 -0.51 4.01 3.56 1of0A1 VAL 110 H 0.01 0.10 0.05 -0.55 8.24 7.84 1of0A1 VAL 110 HA 0.04 0.25 0.71 -0.75 4.13 4.38 1of0A1 VAL 110 HB 0.01 -0.17 0.14 -0.04 2.12 2.06 1of0A1 VAL 110 HG13 -0.08 0.02 0.03 -0.04 0.97 0.91 1of0A1 VAL 110 HG23 -0.09 0.08 0.04 -0.04 0.95 0.94 1of0A1 THR 111 H 0.20 0.29 -0.01 -0.55 8.28 8.21 1of0A1 THR 111 HA 0.11 0.21 1.00 -0.75 4.39 4.95 1of0A1 THR 111 HB 0.21 -0.03 -0.15 -0.04 4.32 4.31 1of0A1 THR 111 HG23 0.06 0.12 -0.12 -0.04 1.22 1.24 1of0A1 PRO 112 HA -0.46 0.06 0.48 -0.51 4.44 4.01 1of0A1 PRO 112 HB2 -0.25 -0.07 0.08 -0.04 2.28 2.00 1of0A1 PRO 112 HB3 -0.34 0.03 0.13 -0.04 2.02 1.80 1of0A1 PRO 112 HG2 -0.33 0.06 0.10 -0.04 2.03 1.81 1of0A1 PRO 112 HG3 -0.94 0.04 0.07 -0.04 2.03 1.17 1of0A1 PRO 112 HD2 -0.24 0.31 0.31 -0.04 3.68 4.02 1of0A1 PRO 112 HD3 -0.28 0.17 0.26 -0.04 3.65 3.76 1of0A1 ASP 113 H -0.13 0.21 0.17 -0.55 8.40 8.10 1of0A1 ASP 113 HA -0.40 0.12 0.28 -0.75 4.63 3.88 1of0A1 ASP 113 HB2 -0.68 0.26 0.11 -0.04 2.71 2.37 1of0A1 ASP 113 HB3 -0.70 0.06 0.06 -0.04 2.70 2.07 1of0A1 ASP 114 H -0.20 0.09 -0.24 -0.55 8.40 7.49 1of0A1 ASP 114 HA -0.18 0.20 0.69 -0.75 4.63 4.58 1of0A1 ASP 114 HB2 -0.18 -0.01 0.17 -0.04 2.71 2.64 1of0A1 ASP 114 HB3 -0.15 0.02 0.07 -0.04 2.70 2.60 1of0A1 SER 115 H -0.27 0.58 -0.36 -0.55 8.46 7.87 1of0A1 SER 115 HA -1.62 0.19 0.90 -0.75 4.49 3.21 1of0A1 SER 115 HB2 -0.30 0.16 0.12 -0.04 3.95 3.89 1of0A1 SER 115 HB3 -0.48 0.02 0.18 -0.04 3.93 3.60 1of0A1 ASP 116 H -0.13 0.26 -0.18 -0.55 8.40 7.81 1of0A1 ASP 116 HA 0.24 0.13 0.56 -0.75 4.63 4.80 1of0A1 ASP 116 HB2 0.23 0.07 -0.08 -0.04 2.71 2.88 1of0A1 ASP 116 HB3 0.15 0.05 -0.01 -0.04 2.70 2.85 1of0A1 GLY 117 H 0.14 0.05 -0.37 -0.55 8.43 7.70 1of0A1 GLY 117 HA2 0.39 0.00 0.05 -0.51 4.01 3.94 1of0A1 GLY 117 HA3 0.27 0.13 0.12 -0.51 4.01 4.02 1of0A1 TYR 118 H 0.22 0.07 -0.09 -0.55 8.29 7.94 1of0A1 TYR 118 HA -0.12 0.14 0.27 -0.75 4.56 4.09 1of0A1 TYR 118 HB2 -0.04 0.14 0.06 -0.04 3.06 3.17 1of0A1 TYR 118 HB3 0.04 -0.08 -0.07 -0.04 2.98 2.83 1of0A1 TYR 118 HD2 -0.03 -0.06 -0.20 -0.04 7.15 6.82 1of0A1 TYR 118 HE2 -0.40 0.08 -0.12 -0.04 6.85 6.38 1of0A1 PRO 119 HA -0.04 0.33 0.39 -0.51 4.44 4.60 1of0A1 PRO 119 HB2 -0.68 -0.02 -0.00 -0.04 2.28 1.53 1of0A1 PRO 119 HB3 -0.38 -0.01 0.04 -0.04 2.02 1.63 1of0A1 PRO 119 HG2 -0.82 0.03 -0.02 -0.04 2.03 1.18 1of0A1 PRO 119 HG3 -0.53 0.15 0.04 -0.04 2.03 1.65 1of0A1 PRO 119 HD2 -1.24 0.06 0.08 -0.04 3.68 2.54 1of0A1 PRO 119 HD3 -0.59 0.18 0.12 -0.04 3.65 3.32 1of0A1 GLU 120 H -0.12 0.15 -0.42 -0.55 8.60 7.67 1of0A1 GLU 120 HA 0.43 0.18 0.81 -0.75 4.29 4.95 1of0A1 GLU 120 HB2 0.54 0.05 0.00 -0.04 2.09 2.64 1of0A1 GLU 120 HB3 0.60 -0.06 0.17 -0.04 1.99 2.65 1of0A1 GLU 120 HG2 0.50 0.03 0.02 -0.04 2.34 2.85 1of0A1 GLU 120 HG3 0.32 -0.04 -0.16 -0.04 2.34 2.42 1of0A1 ALA 121 H 0.26 0.63 -0.56 -0.55 8.40 8.19 1of0A1 ALA 121 HA 0.18 0.09 0.55 -0.75 4.34 4.41 1of0A1 ALA 121 HB3 0.26 0.03 -0.08 -0.04 1.41 1.58 1of0A1 TRP 122 H 0.05 0.02 -0.37 -0.55 7.97 7.12 1of0A1 TRP 122 HA 0.05 0.21 0.31 -0.75 4.62 4.44 1of0A1 TRP 122 HB2 -0.08 -0.11 -0.03 -0.04 3.23 2.98 1of0A1 TRP 122 HB3 -0.01 -0.01 -0.07 -0.04 3.23 3.09 1of0A1 TRP 122 HD1 0.04 0.23 0.19 -0.04 7.22 7.64 1of0A1 TRP 122 HE1 0.09 0.02 0.01 -0.04 10.20 10.28 1of0A1 TRP 122 HE3 0.05 0.01 -0.66 -0.04 7.59 6.96 1of0A1 TRP 122 HZ2 0.09 0.03 -0.10 -0.04 7.44 7.42 1of0A1 TRP 122 HZ3 0.05 -0.03 -0.44 -0.04 7.13 6.67 1of0A1 TRP 122 HH2 0.06 0.04 -0.22 -0.04 7.19 7.03 1of0A1 PHE 123 H -0.08 0.41 0.41 -0.55 8.34 8.52 1of0A1 PHE 123 HA 0.36 0.29 0.85 -0.75 4.62 5.36 1of0A1 PHE 123 HB2 0.30 -0.03 0.14 -0.04 3.15 3.53 1of0A1 PHE 123 HB3 0.35 0.08 0.02 -0.04 3.06 3.47 1of0A1 PHE 123 HD2 0.22 0.12 -0.07 -0.04 7.28 7.52 1of0A1 PHE 123 HE2 0.09 -0.15 -0.08 -0.04 7.38 7.20 1of0A1 PHE 123 HZ 0.20 -0.12 -0.21 -0.04 7.32 7.15 1of0A1 SER 124 H 0.38 0.42 0.22 -0.55 8.46 8.93 1of0A1 SER 124 HA 0.06 0.30 0.81 -0.75 4.49 4.91 1of0A1 SER 124 HB2 0.05 -0.08 0.22 -0.04 3.95 4.10 1of0A1 SER 124 HB3 0.14 0.07 0.06 -0.04 3.93 4.16 1of0A1 LYS 125 H -0.00 0.17 0.13 -0.55 8.42 8.16 1of0A1 LYS 125 HA -0.05 0.15 0.41 -0.75 4.32 4.07 1of0A1 LYS 125 HB2 -0.07 0.12 0.05 -0.04 1.87 1.93 1of0A1 LYS 125 HB3 -0.02 -0.06 0.11 -0.04 1.79 1.78 1of0A1 LYS 125 HG2 -0.03 -0.05 -0.12 -0.04 1.46 1.22 1of0A1 LYS 125 HG3 -0.06 0.10 0.13 -0.04 1.46 1.58 1of0A1 LYS 125 HD2 -0.06 -0.04 -0.06 -0.04 1.69 1.49 1of0A1 LYS 125 HD3 -0.10 0.13 -0.16 -0.04 1.68 1.52 1of0A1 LYS 125 HE2 -0.06 -0.01 -0.07 -0.04 2.99 2.81 1of0A1 LYS 125 HE3 -0.03 -0.08 -0.04 -0.04 2.99 2.80 1of0A1 ASP 126 H -0.13 0.52 0.38 -0.55 8.40 8.62 1of0A1 ASP 126 HA -0.16 0.01 0.38 -0.75 4.63 4.10 1of0A1 ASP 126 HB2 0.01 0.11 -0.04 -0.04 2.71 2.75 1of0A1 ASP 126 HB3 0.04 -0.00 0.18 -0.04 2.70 2.88 1of0A1 PHE 127 H -0.12 0.45 -0.31 -0.55 8.34 7.80 1of0A1 PHE 127 HA 0.09 0.04 0.24 -0.75 4.62 4.23 1of0A1 PHE 127 HB2 -0.04 0.24 0.07 -0.04 3.15 3.38 1of0A1 PHE 127 HB3 -0.17 -0.02 0.11 -0.04 3.06 2.94 1of0A1 PHE 127 HD2 -0.12 0.06 -0.11 -0.04 7.28 7.07 1of0A1 PHE 127 HE2 -0.68 0.03 0.00 -0.04 7.38 6.69 1of0A1 PHE 127 HZ -0.20 0.18 0.00 -0.04 7.32 7.26 1of0A1 GLU 128 H 0.09 0.45 -0.39 -0.55 8.60 8.20 1of0A1 GLU 128 HA 0.06 0.04 0.32 -0.75 4.29 3.96 1of0A1 GLU 128 HB2 0.05 0.06 0.07 -0.04 2.09 2.23 1of0A1 GLU 128 HB3 0.07 -0.10 0.07 -0.04 1.99 1.99 1of0A1 GLU 128 HG2 0.06 -0.00 -0.21 -0.04 2.34 2.14 1of0A1 GLU 128 HG3 0.04 -0.01 0.02 -0.04 2.34 2.36 1of0A1 GLN 129 H 0.16 -0.01 -0.11 -0.55 8.47 7.97 1of0A1 GLN 129 HA 0.05 0.24 0.89 -0.75 4.36 4.78 1of0A1 GLN 129 HB2 0.30 -0.11 0.03 -0.04 2.15 2.32 1of0A1 GLN 129 HB3 0.32 0.08 -0.04 -0.04 2.02 2.34 1of0A1 GLN 129 HG2 0.11 0.07 -0.03 -0.04 2.40 2.51 1of0A1 GLN 129 HG3 0.10 -0.08 -0.32 -0.04 2.39 2.06 1of0A1 GLN 129 HE21 0.11 0.07 -0.07 -0.04 6.97 7.04 1of0A1 GLN 129 HE22 0.13 0.02 -0.03 -0.04 7.69 7.77 1of0A1 THR 130 H -0.13 0.25 0.13 -0.55 8.28 7.98 1of0A1 THR 130 HA -0.32 0.21 1.01 -0.75 4.39 4.53 1of0A1 THR 130 HB -0.49 0.04 0.04 -0.04 4.32 3.88 1of0A1 THR 130 HG23 -0.87 -0.01 -0.25 -0.04 1.22 0.04 1of0A1 GLY 131 H -1.12 0.65 0.06 -0.55 8.43 7.48 1of0A1 GLY 131 HA2 -1.19 0.06 0.40 -0.51 4.01 2.77 1of0A1 GLY 131 HA3 -1.30 -0.03 0.22 -0.51 4.01 2.39 1of0A1 PRO 132 HA -0.08 0.10 0.47 -0.51 4.44 4.42 1of0A1 PRO 132 HB2 -0.12 0.01 0.05 -0.04 2.28 2.18 1of0A1 PRO 132 HB3 0.03 0.01 0.15 -0.04 2.02 2.17 1of0A1 PRO 132 HG2 0.42 0.01 0.12 -0.04 2.03 2.53 1of0A1 PRO 132 HG3 0.28 0.02 0.10 -0.04 2.03 2.39 1of0A1 PRO 132 HD2 0.11 0.04 0.29 -0.04 3.68 4.08 1of0A1 PRO 132 HD3 0.13 0.13 0.22 -0.04 3.65 4.09 1of0A1 TYR 133 H 0.24 0.53 -0.22 -0.55 8.29 8.29 1of0A1 TYR 133 HA -0.00 0.24 0.89 -0.75 4.56 4.93 1of0A1 TYR 133 HB2 0.28 -0.08 -0.35 -0.04 3.06 2.87 1of0A1 TYR 133 HB3 -0.09 -0.04 0.02 -0.04 2.98 2.83 1of0A1 TYR 133 HD2 0.00 -0.01 -0.04 -0.04 7.15 7.06 1of0A1 TYR 133 HE2 0.03 -0.01 -0.04 -0.04 6.85 6.79 1of0A1 PHE 134 H 0.14 0.49 -0.24 -0.55 8.34 8.17 1of0A1 PHE 134 HA 0.09 -0.01 0.52 -0.75 4.62 4.46 1of0A1 PHE 134 HB2 -0.06 -0.01 0.05 -0.04 3.15 3.08 1of0A1 PHE 134 HB3 -0.08 0.10 0.00 -0.04 3.06 3.04 1of0A1 PHE 134 HD2 0.12 0.13 -0.31 -0.04 7.28 7.18 1of0A1 PHE 134 HE2 -0.07 -0.01 -0.19 -0.04 7.38 7.07 1of0A1 PHE 134 HZ -0.50 -0.10 -0.31 -0.04 7.32 6.37 1of0A1 LYS 135 H -0.72 -0.02 0.28 -0.55 8.42 7.41 1of0A1 LYS 135 HA -0.03 0.19 0.87 -0.75 4.32 4.60 1of0A1 LYS 135 HB2 -0.12 0.10 -0.07 -0.04 1.87 1.73 1of0A1 LYS 135 HB3 -0.18 -0.02 0.04 -0.04 1.79 1.58 1of0A1 LYS 135 HG2 -0.09 -0.09 0.01 -0.04 1.46 1.25 1of0A1 LYS 135 HG3 -0.07 -0.03 0.09 -0.04 1.46 1.41 1of0A1 LYS 135 HD2 -0.05 -0.06 0.02 -0.04 1.69 1.57 1of0A1 LYS 135 HD3 -0.04 0.26 -0.13 -0.04 1.68 1.73 1of0A1 LYS 135 HE2 -0.06 0.02 -0.03 -0.04 2.99 2.88 1of0A1 LYS 135 HE3 -0.07 0.01 -0.05 -0.04 2.99 2.85 1of0A1 ARG 136 H -0.74 0.14 0.26 -0.55 8.46 7.57 1of0A1 ARG 136 HA -0.20 0.14 0.78 -0.75 4.34 4.31 1of0A1 ARG 136 HB2 -0.07 -0.03 -0.01 -0.04 1.90 1.75 1of0A1 ARG 136 HB3 -0.12 0.07 -0.12 -0.04 1.80 1.59 1of0A1 ARG 136 HG2 -0.20 -0.08 -0.06 -0.04 1.67 1.29 1of0A1 ARG 136 HG3 -0.09 0.06 -0.04 -0.04 1.67 1.55 1of0A1 ARG 136 HD2 -0.22 -0.04 -0.20 -0.04 3.22 2.71 1of0A1 ARG 136 HD3 -0.02 0.30 -0.10 -0.04 3.22 3.36 1of0A1 GLU 137 H -0.13 0.09 0.15 -0.55 8.60 8.16 1of0A1 GLU 137 HA -0.30 0.20 0.70 -0.75 4.29 4.13 1of0A1 GLU 137 HB2 -0.22 -0.06 0.14 -0.04 2.09 1.91 1of0A1 GLU 137 HB3 -0.32 0.00 -0.03 -0.04 1.99 1.60 1of0A1 GLU 137 HG2 -2.70 0.05 -0.01 -0.04 2.34 -0.36 1of0A1 GLU 137 HG3 -0.41 -0.01 -0.07 -0.04 2.34 1.81 1of0A1 VAL 138 H 0.00 0.03 0.07 -0.55 8.24 7.79 1of0A1 VAL 138 HA 0.12 0.13 0.77 -0.75 4.13 4.40 1of0A1 VAL 138 HB 0.08 -0.02 0.09 -0.04 2.12 2.23 1of0A1 VAL 138 HG13 0.27 0.03 -0.25 -0.04 0.97 0.99 1of0A1 VAL 138 HG23 0.05 -0.02 -0.04 -0.04 0.95 0.91 1of0A1 TYR 139 H 0.26 0.58 0.36 -0.55 8.29 8.94 1of0A1 TYR 139 HA -0.04 0.07 0.55 -0.75 4.56 4.38 1of0A1 TYR 139 HB2 0.20 0.09 0.24 -0.04 3.06 3.56 1of0A1 TYR 139 HB3 -0.39 0.02 0.03 -0.04 2.98 2.60 1of0A1 TYR 139 HD2 0.20 -0.05 -0.21 -0.04 7.15 7.04 1of0A1 TYR 139 HE2 0.04 0.16 -0.04 -0.04 6.85 6.97 1of0A1 HIS 140 H -0.25 0.16 0.18 -0.55 8.41 7.96 1of0A1 HIS 140 HA -0.60 0.28 1.07 -0.75 4.63 4.63 1of0A1 HIS 140 HB2 -0.16 0.02 -0.03 -0.04 3.26 3.05 1of0A1 HIS 140 HB3 -0.25 -0.07 0.17 -0.04 3.20 3.01 1of0A1 HIS 140 HD2 -1.04 0.33 -0.06 -0.04 6.97 6.16 1of0A1 HIS 140 HE1 -0.01 -0.02 -0.04 -0.04 7.75 7.63 1of0A1 TYR 141 H -0.15 0.87 0.19 -0.55 8.29 8.65 1of0A1 TYR 141 HA -0.13 0.19 0.92 -0.75 4.56 4.79 1of0A1 TYR 141 HB2 0.09 -0.01 0.05 -0.04 3.06 3.15 1of0A1 TYR 141 HB3 0.04 -0.03 -0.03 -0.04 2.98 2.92 1of0A1 TYR 141 HD2 0.08 0.01 -0.19 -0.04 7.15 7.01 1of0A1 TYR 141 HE2 0.29 0.05 -0.12 -0.04 6.85 7.02 1of0A1 PRO 142 HA -0.08 0.10 0.47 -0.51 4.44 4.42 1of0A1 PRO 142 HB2 0.03 -0.04 0.03 -0.04 2.28 2.26 1of0A1 PRO 142 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 1of0A1 PRO 142 HG2 -0.12 0.03 0.07 -0.04 2.03 1.96 1of0A1 PRO 142 HG3 -0.81 0.01 -0.01 -0.04 2.03 1.18 1of0A1 PRO 142 HD2 -0.03 0.20 0.27 -0.04 3.68 4.09 1of0A1 PRO 142 HD3 -0.39 0.34 0.02 -0.04 3.65 3.57 1of0A1 ASN 143 H 0.07 0.10 -0.27 -0.55 8.53 7.88 1of0A1 ASN 143 HA 0.06 0.02 0.21 -0.75 4.76 4.30 1of0A1 ASN 143 HB2 0.08 0.24 0.04 -0.04 2.88 3.20 1of0A1 ASN 143 HB3 0.08 -0.08 0.15 -0.04 2.79 2.90 1of0A1 ASN 143 HD21 0.25 -0.14 -0.10 -0.04 7.03 7.00 1of0A1 ASN 143 HD22 0.13 0.37 -0.08 -0.04 7.74 8.12 1of0A1 GLN 144 H 0.03 0.15 -0.22 -0.55 8.47 7.88 1of0A1 GLN 144 HA -0.01 0.11 0.82 -0.75 4.36 4.53 1of0A1 GLN 144 HB2 -0.01 -0.02 0.12 -0.04 2.15 2.20 1of0A1 GLN 144 HB3 -0.04 -0.00 0.14 -0.04 2.02 2.08 1of0A1 GLN 144 HG2 0.00 -0.01 0.01 -0.04 2.40 2.36 1of0A1 GLN 144 HG3 0.02 0.13 -0.20 -0.04 2.39 2.30 1of0A1 GLN 144 HE21 0.05 -0.05 -0.00 -0.04 6.97 6.93 1of0A1 GLN 144 HE22 0.04 0.11 -0.00 -0.04 7.69 7.79 1of0A1 GLN 145 H -0.02 0.43 -0.14 -0.55 8.47 8.20 1of0A1 GLN 145 HA -0.11 0.11 0.57 -0.75 4.36 4.17 1of0A1 GLN 145 HB2 -0.11 0.04 0.09 -0.04 2.15 2.13 1of0A1 GLN 145 HB3 -0.08 0.06 -0.13 -0.04 2.02 1.83 1of0A1 GLN 145 HG2 -0.01 -0.23 -0.35 -0.04 2.40 1.77 1of0A1 GLN 145 HG3 -0.02 0.23 -0.30 -0.04 2.39 2.25 1of0A1 GLN 145 HE21 -0.04 0.38 0.08 -0.04 6.97 7.35 1of0A1 GLN 145 HE22 -0.05 0.08 -0.08 -0.04 7.69 7.60 1of0A1 ARG 146 H -0.15 0.16 0.11 -0.55 8.46 8.03 1of0A1 ARG 146 HA -0.05 -0.05 0.47 -0.75 4.34 3.96 1of0A1 ARG 146 HB2 -0.11 0.24 0.11 -0.04 1.90 2.10 1of0A1 ARG 146 HB3 -0.04 -0.03 0.17 -0.04 1.80 1.85 1of0A1 ARG 146 HG2 -0.11 -0.07 0.05 -0.04 1.67 1.50 1of0A1 ARG 146 HG3 -0.25 -0.05 0.11 -0.04 1.67 1.44 1of0A1 ARG 146 HD2 -0.35 0.14 0.05 -0.04 3.22 3.01 1of0A1 ARG 146 HD3 -0.02 -0.00 0.04 -0.04 3.22 3.20 1of0A1 GLY 147 H -0.01 -0.02 0.20 -0.55 8.43 8.06 1of0A1 GLY 147 HA2 -0.01 0.07 0.36 -0.51 4.01 3.92 1of0A1 GLY 147 HA3 0.01 -0.13 0.37 -0.51 4.01 3.75 1of0A1 ALA 148 H -0.02 0.27 0.34 -0.55 8.40 8.44 1of0A1 ALA 148 HA -0.00 -0.03 0.33 -0.75 4.34 3.88 1of0A1 ALA 148 HB3 -0.00 0.10 -0.25 -0.04 1.41 1.22 1of0A1 ILE 149 H 0.01 0.24 0.06 -0.55 8.25 8.00 1of0A1 ILE 149 HA 0.03 0.10 0.82 -0.75 4.18 4.38 1of0A1 ILE 149 HB 0.01 0.01 0.03 -0.04 1.89 1.90 1of0A1 ILE 149 HG12 0.01 0.00 -0.14 -0.04 1.49 1.33 1of0A1 ILE 149 HG13 0.00 -0.07 -0.10 -0.04 1.21 0.99 1of0A1 ILE 149 HG23 0.02 0.01 -0.20 -0.04 0.93 0.73 1of0A1 ILE 149 HD13 0.00 -0.03 -0.22 -0.04 0.88 0.58 1of0A1 LEU 150 H 0.14 0.62 0.37 -0.55 8.37 8.95 1of0A1 LEU 150 HA 0.15 0.24 0.83 -0.75 4.35 4.81 1of0A1 LEU 150 HB2 0.21 0.00 -0.06 -0.04 1.64 1.75 1of0A1 LEU 150 HB3 -0.04 0.02 -0.02 -0.04 1.64 1.55 1of0A1 LEU 150 HG 0.01 0.09 -0.17 -0.04 1.64 1.53 1of0A1 LEU 150 HD13 0.06 -0.02 -0.52 -0.04 0.93 0.41 1of0A1 LEU 150 HD23 -0.11 -0.03 -0.34 -0.04 0.89 0.37 1of0A1 TRP 151 H 0.12 0.50 0.25 -0.55 7.97 8.28 1of0A1 TRP 151 HA 0.03 -0.01 0.68 -0.75 4.62 4.57 1of0A1 TRP 151 HB2 -0.08 0.13 0.14 -0.04 3.23 3.39 1of0A1 TRP 151 HB3 -0.05 0.02 -0.18 -0.04 3.23 2.98 1of0A1 TRP 151 HD1 -0.25 0.02 -0.10 -0.04 7.22 6.85 1of0A1 TRP 151 HE1 -0.94 0.08 0.00 -0.04 10.20 9.30 1of0A1 TRP 151 HE3 -0.01 0.01 -0.07 -0.04 7.59 7.48 1of0A1 TRP 151 HZ2 -0.30 -0.02 0.01 -0.04 7.44 7.10 1of0A1 TRP 151 HZ3 0.02 0.01 -0.03 -0.04 7.13 7.09 1of0A1 TRP 151 HH2 -0.12 0.00 -0.05 -0.04 7.19 6.97 1of0A1 TYR 152 H -0.15 0.62 0.24 -0.55 8.29 8.44 1of0A1 TYR 152 HA -0.57 0.33 1.19 -0.75 4.56 4.76 1of0A1 TYR 152 HB2 -0.62 -0.02 -0.16 -0.04 3.06 2.22 1of0A1 TYR 152 HB3 -0.29 -0.04 -0.20 -0.04 2.98 2.41 1of0A1 TYR 152 HD2 -0.37 -0.03 -0.42 -0.04 7.15 6.29 1of0A1 TYR 152 HE2 -0.30 0.10 -0.21 -0.04 6.85 6.40 1of0A1 HIS 153 H -0.50 0.52 0.31 -0.55 8.41 8.19 1of0A1 HIS 153 HA 0.17 0.12 0.47 -0.75 4.63 4.64 1of0A1 HIS 153 HB2 0.01 0.06 0.26 -0.04 3.26 3.55 1of0A1 HIS 153 HB3 -0.24 0.03 -0.02 -0.04 3.20 2.93 1of0A1 HIS 153 HD2 -2.65 -0.00 -0.20 -0.04 6.97 4.07 1of0A1 HIS 153 HE1 -0.04 -0.05 -0.09 -0.04 7.75 7.52 1of0A1 ASP 154 H 0.27 0.29 0.18 -0.55 8.40 8.59 1of0A1 ASP 154 HA 0.11 0.23 0.58 -0.75 4.63 4.79 1of0A1 ASP 154 HB2 0.14 0.02 0.05 -0.04 2.71 2.88 1of0A1 ASP 154 HB3 0.11 -0.00 0.04 -0.04 2.70 2.81 1of0A1 HIS 155 H 0.13 0.32 0.26 -0.55 8.41 8.58 1of0A1 HIS 155 HA 0.03 0.12 0.70 -0.75 4.63 4.73 1of0A1 HIS 155 HB2 0.05 0.03 -0.22 -0.04 3.26 3.09 1of0A1 HIS 155 HB3 0.02 0.13 -0.08 -0.04 3.20 3.23 1of0A1 HIS 155 HD2 0.09 0.01 -0.09 -0.04 6.97 6.93 1of0A1 HIS 155 HE1 -0.47 -0.04 -0.09 -0.04 7.75 7.10 1of0A1 ALA 156 H 0.04 0.03 -0.02 -0.55 8.40 7.90 1of0A1 ALA 156 HA 0.09 0.17 0.40 -0.75 4.34 4.24 1of0A1 ALA 156 HB3 -0.06 -0.03 -0.15 -0.04 1.41 1.12 1of0A1 MET 157 H 0.04 0.49 0.25 -0.55 8.47 8.69 1of0A1 MET 157 HA -0.26 -0.01 0.38 -0.75 4.52 3.87 1of0A1 MET 157 HB2 -0.02 0.03 -0.06 -0.04 2.15 2.06 1of0A1 MET 157 HB3 -0.08 -0.01 0.11 -0.04 2.03 2.01 1of0A1 MET 157 HG2 -0.08 0.00 -0.07 -0.04 2.63 2.44 1of0A1 MET 157 HG3 -0.25 0.05 -0.28 -0.04 2.56 2.04 1of0A1 MET 157 HE3 -0.56 0.01 0.02 -0.04 2.10 1.54 1of0A1 ALA 158 H -0.24 0.14 0.19 -0.55 8.40 7.95 1of0A1 ALA 158 HA -0.16 0.06 0.42 -0.75 4.34 3.90 1of0A1 ALA 158 HB3 -0.18 0.07 -0.03 -0.04 1.41 1.22 1of0A1 LEU 159 H -0.18 0.48 -0.46 -0.55 8.37 7.67 1of0A1 LEU 159 HA -0.22 0.20 0.89 -0.75 4.35 4.46 1of0A1 LEU 159 HB2 -0.14 0.05 -0.12 -0.04 1.64 1.38 1of0A1 LEU 159 HB3 -0.08 -0.13 0.09 -0.04 1.64 1.48 1of0A1 LEU 159 HG -0.24 0.12 -0.29 -0.04 1.64 1.19 1of0A1 LEU 159 HD13 -0.15 0.05 0.04 -0.04 0.93 0.83 1of0A1 LEU 159 HD23 -0.21 0.01 0.01 -0.04 0.89 0.65 1of0A1 THR 160 H -0.17 0.23 -0.00 -0.55 8.28 7.80 1of0A1 THR 160 HA -0.08 -0.00 0.23 -0.75 4.39 3.78 1of0A1 THR 160 HB -0.21 -0.05 -0.01 -0.04 4.32 4.01 1of0A1 THR 160 HG23 -0.23 0.06 -0.17 -0.04 1.22 0.84 1of0A1 ARG 161 H -0.17 0.15 -0.28 -0.55 8.46 7.61 1of0A1 ARG 161 HA -0.11 0.07 0.32 -0.75 4.34 3.87 1of0A1 ARG 161 HB2 -0.10 -0.02 -0.10 -0.04 1.90 1.63 1of0A1 ARG 161 HB3 -0.10 0.04 -0.27 -0.04 1.80 1.43 1of0A1 ARG 161 HG2 -0.23 -0.08 -0.15 -0.04 1.67 1.17 1of0A1 ARG 161 HG3 -0.41 0.07 -0.31 -0.04 1.67 0.99 1of0A1 ARG 161 HD2 0.01 -0.03 -0.10 -0.04 3.22 3.06 1of0A1 ARG 161 HD3 -0.08 0.05 -0.11 -0.04 3.22 3.05 1of0A1 LEU 162 H -0.30 0.19 -0.40 -0.55 8.37 7.32 1of0A1 LEU 162 HA -0.66 0.12 0.52 -0.75 4.35 3.58 1of0A1 LEU 162 HB2 -0.41 0.10 0.09 -0.04 1.64 1.38 1of0A1 LEU 162 HB3 -0.82 -0.04 -0.08 -0.04 1.64 0.65 1of0A1 LEU 162 HG -0.50 -0.10 -0.07 -0.04 1.64 0.93 1of0A1 LEU 162 HD13 -0.57 0.03 -0.11 -0.04 0.93 0.24 1of0A1 LEU 162 HD23 -1.04 0.01 -0.13 -0.04 0.89 -0.31 1of0A1 ASN 163 H -0.09 0.67 0.07 -0.55 8.53 8.63 1of0A1 ASN 163 HA 0.10 0.04 0.38 -0.75 4.76 4.52 1of0A1 ASN 163 HB2 0.04 0.02 0.05 -0.04 2.88 2.95 1of0A1 ASN 163 HB3 0.14 -0.06 0.01 -0.04 2.79 2.84 1of0A1 ASN 163 HD21 0.04 0.28 0.08 -0.04 7.03 7.39 1of0A1 ASN 163 HD22 0.03 -0.21 0.01 -0.04 7.74 7.53 1of0A1 VAL 164 H -0.03 0.53 -0.19 -0.55 8.24 8.00 1of0A1 VAL 164 HA 0.09 0.06 0.46 -0.75 4.13 3.99 1of0A1 VAL 164 HB 0.00 0.01 0.09 -0.04 2.12 2.18 1of0A1 VAL 164 HG13 0.13 0.01 -0.16 -0.04 0.97 0.91 1of0A1 VAL 164 HG23 -0.01 0.00 0.08 -0.04 0.95 0.98 1of0A1 TYR 165 H -0.03 0.32 -0.27 -0.55 8.29 7.77 1of0A1 TYR 165 HA -0.11 0.03 0.39 -0.75 4.56 4.12 1of0A1 TYR 165 HB2 -0.31 0.09 0.22 -0.04 3.06 3.02 1of0A1 TYR 165 HB3 -0.47 0.06 0.13 -0.04 2.98 2.66 1of0A1 TYR 165 HD2 -0.29 -0.03 -0.06 -0.04 7.15 6.73 1of0A1 TYR 165 HE2 -0.15 -0.05 -0.04 -0.04 6.85 6.57 1of0A1 ALA 166 H -0.12 0.34 -0.50 -0.55 8.40 7.57 1of0A1 ALA 166 HA -0.17 0.02 0.45 -0.75 4.34 3.88 1of0A1 ALA 166 HB3 -0.23 0.01 0.09 -0.04 1.41 1.24 1of0A1 GLY 167 H -0.08 0.37 -0.42 -0.55 8.43 7.76 1of0A1 GLY 167 HA2 -0.27 -0.01 0.23 -0.51 4.01 3.46 1of0A1 GLY 167 HA3 -0.32 0.21 1.01 -0.51 4.01 4.40 1of0A1 LEU 168 H 0.07 0.26 0.15 -0.55 8.37 8.30 1of0A1 LEU 168 HA -0.11 0.07 0.64 -0.75 4.35 4.19 1of0A1 LEU 168 HB2 0.08 0.00 0.07 -0.04 1.64 1.75 1of0A1 LEU 168 HB3 -0.13 -0.11 0.03 -0.04 1.64 1.39 1of0A1 LEU 168 HG 0.11 0.13 -0.17 -0.04 1.64 1.66 1of0A1 LEU 168 HD13 0.09 -0.04 -0.10 -0.04 0.93 0.84 1of0A1 LEU 168 HD23 -0.57 -0.01 -0.32 -0.04 0.89 -0.05 1of0A1 VAL 169 H 0.34 0.55 0.29 -0.55 8.24 8.87 1of0A1 VAL 169 HA 0.30 0.28 0.91 -0.75 4.13 4.87 1of0A1 VAL 169 HB 0.44 -0.01 0.04 -0.04 2.12 2.56 1of0A1 VAL 169 HG13 0.35 0.01 -0.24 -0.04 0.97 1.04 1of0A1 VAL 169 HG23 0.27 0.00 -0.11 -0.04 0.95 1.07 1of0A1 GLY 170 H -0.18 0.60 0.35 -0.55 8.43 8.66 1of0A1 GLY 170 HA2 -0.13 0.11 0.57 -0.51 4.01 4.05 1of0A1 GLY 170 HA3 -1.01 0.06 0.26 -0.51 4.01 2.81 1of0A1 ALA 171 H 0.01 0.26 0.06 -0.55 8.40 8.18 1of0A1 ALA 171 HA 0.16 0.19 0.94 -0.75 4.34 4.88 1of0A1 ALA 171 HB3 0.06 0.01 0.01 -0.04 1.41 1.44 1of0A1 TYR 172 H 0.26 0.75 0.17 -0.55 8.29 8.92 1of0A1 TYR 172 HA 0.08 0.18 0.85 -0.75 4.56 4.92 1of0A1 TYR 172 HB2 0.27 -0.03 -0.36 -0.04 3.06 2.90 1of0A1 TYR 172 HB3 0.08 -0.05 -0.27 -0.04 2.98 2.70 1of0A1 TYR 172 HD2 -0.05 -0.02 -0.35 -0.04 7.15 6.69 1of0A1 TYR 172 HE2 -0.10 -0.02 -0.25 -0.04 6.85 6.43 1of0A1 ILE 173 H -0.24 0.84 0.33 -0.55 8.25 8.63 1of0A1 ILE 173 HA -0.04 0.28 1.25 -0.75 4.18 4.92 1of0A1 ILE 173 HB -0.27 -0.06 0.06 -0.04 1.89 1.58 1of0A1 ILE 173 HG12 -0.02 -0.02 -0.24 -0.04 1.49 1.17 1of0A1 ILE 173 HG13 -0.01 0.00 -0.15 -0.04 1.21 1.01 1of0A1 ILE 173 HG23 -0.34 0.00 -0.24 -0.04 0.93 0.31 1of0A1 ILE 173 HD13 0.02 0.05 -0.24 -0.04 0.88 0.68 1of0A1 ILE 174 H -0.08 0.56 0.27 -0.55 8.25 8.45 1of0A1 ILE 174 HA -0.12 0.21 0.79 -0.75 4.18 4.31 1of0A1 ILE 174 HB -0.00 -0.12 0.19 -0.04 1.89 1.91 1of0A1 ILE 174 HG12 0.17 -0.00 -0.23 -0.04 1.49 1.39 1of0A1 ILE 174 HG13 0.19 -0.01 -0.23 -0.04 1.21 1.12 1of0A1 ILE 174 HG23 0.02 -0.00 -0.38 -0.04 0.93 0.52 1of0A1 ILE 174 HD13 0.06 0.02 -0.19 -0.04 0.88 0.73 1of0A1 HIS 175 H -0.05 0.93 0.41 -0.55 8.41 9.16 1of0A1 HIS 175 HA 0.00 0.11 0.86 -0.75 4.63 4.85 1of0A1 HIS 175 HB2 -0.00 0.01 0.12 -0.04 3.26 3.35 1of0A1 HIS 175 HB3 -0.00 -0.05 -0.07 -0.04 3.20 3.04 1of0A1 HIS 175 HD2 -0.02 0.01 -0.14 -0.04 6.97 6.77 1of0A1 HIS 175 HE1 -0.01 0.02 -0.13 -0.04 7.75 7.59 1of0A1 ASP 176 H 0.08 0.22 0.17 -0.55 8.40 8.32 1of0A1 ASP 176 HA 0.04 0.19 0.91 -0.75 4.63 5.01 1of0A1 ASP 176 HB2 0.02 0.04 0.18 -0.04 2.71 2.91 1of0A1 ASP 176 HB3 0.03 -0.02 0.30 -0.04 2.70 2.97 1of0A1 PRO 177 HA 0.02 0.06 0.35 -0.51 4.44 4.35 1of0A1 PRO 177 HB2 0.01 0.04 0.03 -0.04 2.28 2.32 1of0A1 PRO 177 HB3 0.02 0.06 0.12 -0.04 2.02 2.17 1of0A1 PRO 177 HG2 0.02 0.00 0.06 -0.04 2.03 2.06 1of0A1 PRO 177 HG3 0.02 0.11 0.09 -0.04 2.03 2.21 1of0A1 PRO 177 HD2 0.03 0.09 0.35 -0.04 3.68 4.11 1of0A1 PRO 177 HD3 0.04 0.24 0.26 -0.04 3.65 4.15 1of0A1 LYS 178 H 0.02 0.08 -0.48 -0.55 8.42 7.48 1of0A1 LYS 178 HA 0.01 0.12 0.53 -0.75 4.32 4.23 1of0A1 LYS 178 HB2 0.01 -0.01 0.06 -0.04 1.87 1.88 1of0A1 LYS 178 HB3 0.01 0.05 0.02 -0.04 1.79 1.84 1of0A1 LYS 178 HG2 0.01 0.03 0.02 -0.04 1.46 1.48 1of0A1 LYS 178 HG3 0.01 0.02 0.04 -0.04 1.46 1.48 1of0A1 LYS 178 HD2 0.01 -0.12 -0.16 -0.04 1.69 1.39 1of0A1 LYS 178 HD3 0.01 0.01 0.00 -0.04 1.68 1.67 1of0A1 LYS 178 HE2 0.01 0.03 -0.01 -0.04 2.99 2.97 1of0A1 LYS 178 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 1of0A1 GLU 179 H 0.02 0.57 -0.00 -0.55 8.60 8.64 1of0A1 GLU 179 HA 0.02 0.18 0.64 -0.75 4.29 4.37 1of0A1 GLU 179 HB2 0.03 0.05 0.10 -0.04 2.09 2.22 1of0A1 GLU 179 HB3 0.02 0.03 0.14 -0.04 1.99 2.14 1of0A1 GLU 179 HG2 0.02 0.08 0.04 -0.04 2.34 2.43 1of0A1 GLU 179 HG3 0.02 -0.09 0.13 -0.04 2.34 2.36 1of0A1 LYS 180 H 0.01 0.27 -0.41 -0.55 8.42 7.73 1of0A1 LYS 180 HA -0.00 0.05 0.31 -0.75 4.32 3.93 1of0A1 LYS 180 HB2 -0.01 -0.03 0.08 -0.04 1.87 1.87 1of0A1 LYS 180 HB3 -0.00 0.14 0.07 -0.04 1.79 1.95 1of0A1 LYS 180 HG2 -0.01 -0.00 -0.11 -0.04 1.46 1.30 1of0A1 LYS 180 HG3 -0.02 -0.01 0.03 -0.04 1.46 1.41 1of0A1 LYS 180 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.61 1of0A1 LYS 180 HD3 -0.01 0.03 -0.03 -0.04 1.68 1.62 1of0A1 LYS 180 HE2 -0.01 0.01 -0.05 -0.04 2.99 2.89 1of0A1 LYS 180 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 1of0A1 ARG 181 H 0.01 0.24 -0.44 -0.55 8.46 7.72 1of0A1 ARG 181 HA 0.00 0.07 0.41 -0.75 4.34 4.07 1of0A1 ARG 181 HB2 0.01 -0.02 0.09 -0.04 1.90 1.94 1of0A1 ARG 181 HB3 0.01 -0.03 0.08 -0.04 1.80 1.81 1of0A1 ARG 181 HG2 0.01 0.19 0.06 -0.04 1.67 1.89 1of0A1 ARG 181 HG3 0.01 0.02 -0.18 -0.04 1.67 1.48 1of0A1 ARG 181 HD2 0.01 0.01 0.03 -0.04 3.22 3.23 1of0A1 ARG 181 HD3 0.01 -0.06 0.01 -0.04 3.22 3.13 1of0A1 LEU 182 H 0.01 0.51 -0.37 -0.55 8.37 7.97 1of0A1 LEU 182 HA 0.01 0.06 0.48 -0.75 4.35 4.15 1of0A1 LEU 182 HB2 0.01 0.05 0.09 -0.04 1.64 1.75 1of0A1 LEU 182 HB3 0.00 -0.03 0.07 -0.04 1.64 1.64 1of0A1 LEU 182 HG 0.01 -0.05 0.12 -0.04 1.64 1.68 1of0A1 LEU 182 HD13 0.01 0.02 0.09 -0.04 0.93 1.01 1of0A1 LEU 182 HD23 0.03 0.01 0.05 -0.04 0.89 0.94 1of0A1 LYS 183 H -0.00 0.38 -0.42 -0.55 8.42 7.81 1of0A1 LYS 183 HA -0.01 0.07 0.27 -0.75 4.32 3.89 1of0A1 LYS 183 HB2 -0.01 0.12 -0.17 -0.04 1.87 1.76 1of0A1 LYS 183 HB3 -0.02 -0.00 0.17 -0.04 1.79 1.89 1of0A1 LYS 183 HG2 -0.01 -0.04 -0.01 -0.04 1.46 1.36 1of0A1 LYS 183 HG3 -0.01 0.13 -0.22 -0.04 1.46 1.33 1of0A1 LYS 183 HD2 -0.01 -0.01 -0.07 -0.04 1.69 1.57 1of0A1 LYS 183 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.66 1of0A1 LYS 183 HE2 -0.00 0.04 -0.01 -0.04 2.99 2.98 1of0A1 LYS 183 HE3 -0.01 -0.06 -0.01 -0.04 2.99 2.87 1of0A1 LEU 184 H -0.01 0.00 -0.33 -0.55 8.37 7.49 1of0A1 LEU 184 HA -0.02 0.23 0.44 -0.75 4.35 4.25 1of0A1 LEU 184 HB2 -0.00 -0.05 -0.07 -0.04 1.64 1.47 1of0A1 LEU 184 HB3 -0.01 0.05 0.02 -0.04 1.64 1.65 1of0A1 LEU 184 HG -0.00 -0.08 -0.11 -0.04 1.64 1.41 1of0A1 LEU 184 HD13 0.00 -0.01 -0.05 -0.04 0.93 0.82 1of0A1 LEU 184 HD23 -0.01 0.04 -0.04 -0.04 0.89 0.84 1of0A1 PRO 185 HA -0.04 -0.05 0.37 -0.51 4.44 4.20 1of0A1 PRO 185 HB2 -0.06 0.03 -0.10 -0.04 2.28 2.12 1of0A1 PRO 185 HB3 -0.10 0.13 0.00 -0.04 2.02 2.01 1of0A1 PRO 185 HG2 -0.04 0.00 -0.34 -0.04 2.03 1.61 1of0A1 PRO 185 HG3 -0.06 -0.03 -0.10 -0.04 2.03 1.79 1of0A1 PRO 185 HD2 -0.02 0.07 0.07 -0.04 3.68 3.76 1of0A1 PRO 185 HD3 -0.03 0.32 0.21 -0.04 3.65 4.11 1of0A1 SER 186 H 0.03 0.11 0.12 -0.55 8.46 8.17 1of0A1 SER 186 HA -0.02 0.22 0.63 -0.75 4.49 4.58 1of0A1 SER 186 HB2 -0.05 -0.12 0.05 -0.04 3.95 3.80 1of0A1 SER 186 HB3 -0.02 0.19 -0.26 -0.04 3.93 3.79 1of0A1 ASP 187 H -0.05 0.18 0.07 -0.55 8.40 8.05 1of0A1 ASP 187 HA -0.07 0.10 0.33 -0.75 4.63 4.24 1of0A1 ASP 187 HB2 -0.07 0.09 0.15 -0.04 2.71 2.84 1of0A1 ASP 187 HB3 -0.08 0.03 0.17 -0.04 2.70 2.78 1of0A1 GLU 188 H -0.25 0.12 0.22 -0.55 8.60 8.13 1of0A1 GLU 188 HA -0.19 0.13 0.37 -0.75 4.29 3.85 1of0A1 GLU 188 HB2 -1.07 -0.01 0.03 -0.04 2.09 0.99 1of0A1 GLU 188 HB3 -0.36 0.05 0.09 -0.04 1.99 1.73 1of0A1 GLU 188 HG2 -0.21 0.01 0.05 -0.04 2.34 2.15 1of0A1 GLU 188 HG3 -0.17 0.03 0.07 -0.04 2.34 2.23 1of0A1 TYR 189 H -0.38 0.35 -0.37 -0.55 8.29 7.34 1of0A1 TYR 189 HA -0.42 0.16 0.61 -0.75 4.56 4.15 1of0A1 TYR 189 HB2 -0.28 -0.02 0.06 -0.04 3.06 2.78 1of0A1 TYR 189 HB3 -0.70 0.06 0.23 -0.04 2.98 2.53 1of0A1 TYR 189 HD2 -0.68 0.07 0.01 -0.04 7.15 6.51 1of0A1 TYR 189 HE2 -0.06 -0.01 -0.03 -0.04 6.85 6.71 1of0A1 ASP 190 H -0.09 0.55 -0.83 -0.55 8.40 7.48 1of0A1 ASP 190 HA -0.06 0.13 0.66 -0.75 4.63 4.61 1of0A1 ASP 190 HB2 -0.02 -0.16 -0.26 -0.04 2.71 2.22 1of0A1 ASP 190 HB3 -0.01 0.09 0.05 -0.04 2.70 2.78 1of0A1 VAL 191 H -0.07 0.73 0.14 -0.55 8.24 8.49 1of0A1 VAL 191 HA 0.08 0.28 1.05 -0.75 4.13 4.78 1of0A1 VAL 191 HB 0.32 -0.07 0.00 -0.04 2.12 2.33 1of0A1 VAL 191 HG13 0.22 0.02 -0.17 -0.04 0.97 1.00 1of0A1 VAL 191 HG23 0.15 -0.02 -0.24 -0.04 0.95 0.80 1of0A1 PRO 192 HA 0.09 0.02 0.64 -0.51 4.44 4.69 1of0A1 PRO 192 HB2 0.03 0.01 -0.01 -0.04 2.28 2.26 1of0A1 PRO 192 HB3 0.03 0.02 0.03 -0.04 2.02 2.06 1of0A1 PRO 192 HG2 0.04 0.06 0.00 -0.04 2.03 2.09 1of0A1 PRO 192 HG3 0.05 0.00 -0.09 -0.04 2.03 1.96 1of0A1 PRO 192 HD2 0.06 0.14 0.22 -0.04 3.68 4.05 1of0A1 PRO 192 HD3 0.06 0.28 0.22 -0.04 3.65 4.16 1of0A1 LEU 193 H 0.03 0.78 0.18 -0.55 8.37 8.82 1of0A1 LEU 193 HA -0.02 0.21 0.83 -0.75 4.35 4.61 1of0A1 LEU 193 HB2 -0.02 -0.10 0.06 -0.04 1.64 1.55 1of0A1 LEU 193 HB3 -0.08 -0.01 -0.07 -0.04 1.64 1.44 1of0A1 LEU 193 HG 0.24 0.03 -0.43 -0.04 1.64 1.44 1of0A1 LEU 193 HD13 -0.23 -0.02 -0.18 -0.04 0.93 0.45 1of0A1 LEU 193 HD23 0.08 0.09 -0.22 -0.04 0.89 0.80 1of0A1 LEU 194 H -0.10 0.21 0.06 -0.55 8.37 7.99 1of0A1 LEU 194 HA -0.18 0.24 0.92 -0.75 4.35 4.57 1of0A1 LEU 194 HB2 -0.14 -0.05 0.17 -0.04 1.64 1.58 1of0A1 LEU 194 HB3 -0.13 0.04 -0.07 -0.04 1.64 1.44 1of0A1 LEU 194 HG -0.15 0.05 -0.12 -0.04 1.64 1.38 1of0A1 LEU 194 HD13 -0.05 -0.02 -0.16 -0.04 0.93 0.66 1of0A1 LEU 194 HD23 -0.02 0.01 -0.22 -0.04 0.89 0.62 1of0A1 ILE 195 H -0.21 0.71 0.36 -0.55 8.25 8.56 1of0A1 ILE 195 HA -0.17 0.32 0.92 -0.75 4.18 4.49 1of0A1 ILE 195 HB -0.36 -0.07 0.15 -0.04 1.89 1.56 1of0A1 ILE 195 HG12 -0.26 0.04 -0.16 -0.04 1.49 1.07 1of0A1 ILE 195 HG13 -0.23 0.08 -0.11 -0.04 1.21 0.92 1of0A1 ILE 195 HG23 -0.63 0.01 -0.15 -0.04 0.93 0.12 1of0A1 ILE 195 HD13 -0.39 -0.02 -0.13 -0.04 0.88 0.30 1of0A1 THR 196 H -0.07 0.56 0.19 -0.55 8.28 8.41 1of0A1 THR 196 HA 0.09 0.06 0.79 -0.75 4.39 4.57 1of0A1 THR 196 HB 0.10 0.09 -0.10 -0.04 4.32 4.36 1of0A1 THR 196 HG23 0.07 0.04 -0.40 -0.04 1.22 0.88 1of0A1 ASP 197 H 0.19 0.05 0.17 -0.55 8.40 8.25 1of0A1 ASP 197 HA 0.05 0.21 0.96 -0.75 4.63 5.10 1of0A1 ASP 197 HB2 0.10 0.14 0.08 -0.04 2.71 2.99 1of0A1 ASP 197 HB3 0.21 0.02 0.07 -0.04 2.70 2.95 1of0A1 ARG 198 H 0.03 0.80 0.36 -0.55 8.46 9.09 1of0A1 ARG 198 HA 0.35 0.14 0.78 -0.75 4.34 4.86 1of0A1 ARG 198 HB2 -0.02 -0.02 -0.14 -0.04 1.90 1.67 1of0A1 ARG 198 HB3 -0.02 0.03 -0.01 -0.04 1.80 1.76 1of0A1 ARG 198 HG2 -0.02 -0.04 -0.86 -0.04 1.67 0.71 1of0A1 ARG 198 HG3 -0.06 0.03 -0.23 -0.04 1.67 1.37 1of0A1 ARG 198 HD2 -0.57 0.01 -0.01 -0.04 3.22 2.61 1of0A1 ARG 198 HD3 -0.79 -0.03 0.09 -0.04 3.22 2.45 1of0A1 THR 199 H 0.44 0.40 0.25 -0.55 8.28 8.82 1of0A1 THR 199 HA 0.12 0.05 0.94 -0.75 4.39 4.74 1of0A1 THR 199 HB 0.55 0.20 0.21 -0.04 4.32 5.24 1of0A1 THR 199 HG23 0.06 0.01 -0.04 -0.04 1.22 1.21 1of0A1 ILE 200 H 0.05 0.19 0.11 -0.55 8.25 8.06 1of0A1 ILE 200 HA 0.11 0.22 0.98 -0.75 4.18 4.73 1of0A1 ILE 200 HB 0.00 -0.04 -0.03 -0.04 1.89 1.78 1of0A1 ILE 200 HG12 0.02 0.10 -0.29 -0.04 1.49 1.27 1of0A1 ILE 200 HG13 0.02 -0.23 -0.49 -0.04 1.21 0.46 1of0A1 ILE 200 HG23 0.03 0.07 -0.24 -0.04 0.93 0.75 1of0A1 ILE 200 HD13 -0.04 0.01 -0.16 -0.04 0.88 0.66 1of0A1 ASN 201 H 0.09 0.85 0.15 -0.55 8.53 9.07 1of0A1 ASN 201 HA 0.00 0.09 0.53 -0.75 4.76 4.64 1of0A1 ASN 201 HB2 0.07 -0.03 0.03 -0.04 2.88 2.90 1of0A1 ASN 201 HB3 0.04 -0.12 0.10 -0.04 2.79 2.77 1of0A1 ASN 201 HD21 0.27 0.02 -0.17 -0.04 7.03 7.11 1of0A1 ASN 201 HD22 0.13 -0.03 -0.22 -0.04 7.74 7.58 1of0A1 GLU 202 H -0.00 0.14 0.17 -0.55 8.60 8.35 1of0A1 GLU 202 HA -0.00 0.15 0.39 -0.75 4.29 4.07 1of0A1 GLU 202 HB2 0.00 -0.07 0.15 -0.04 2.09 2.13 1of0A1 GLU 202 HB3 0.00 0.05 -0.01 -0.04 1.99 2.00 1of0A1 GLU 202 HG2 -0.01 0.07 0.08 -0.04 2.34 2.44 1of0A1 GLU 202 HG3 -0.02 -0.02 0.11 -0.04 2.34 2.37 1of0A1 ASP 203 H 0.02 0.02 -0.21 -0.55 8.40 7.68 1of0A1 ASP 203 HA 0.02 0.14 0.51 -0.75 4.63 4.54 1of0A1 ASP 203 HB2 0.02 0.06 0.16 -0.04 2.71 2.90 1of0A1 ASP 203 HB3 0.02 -0.03 0.09 -0.04 2.70 2.74 1of0A1 GLY 204 H 0.02 0.54 -0.74 -0.55 8.43 7.71 1of0A1 GLY 204 HA2 0.02 0.01 0.23 -0.51 4.01 3.77 1of0A1 GLY 204 HA3 0.02 0.26 0.42 -0.51 4.01 4.21 1of0A1 SER 205 H 0.04 -0.10 -0.45 -0.55 8.46 7.41 1of0A1 SER 205 HA 0.04 0.08 0.57 -0.75 4.49 4.42 1of0A1 SER 205 HB2 0.08 0.08 0.11 -0.04 3.95 4.18 1of0A1 SER 205 HB3 0.04 0.03 0.05 -0.04 3.93 4.00 1of0A1 LEU 206 H 0.10 0.16 0.22 -0.55 8.37 8.31 1of0A1 LEU 206 HA 0.12 0.11 0.64 -0.75 4.35 4.46 1of0A1 LEU 206 HB2 0.16 -0.02 0.14 -0.04 1.64 1.88 1of0A1 LEU 206 HB3 0.18 0.02 -0.02 -0.04 1.64 1.78 1of0A1 LEU 206 HG -0.01 0.02 0.07 -0.04 1.64 1.68 1of0A1 LEU 206 HD13 -0.17 0.02 0.03 -0.04 0.93 0.77 1of0A1 LEU 206 HD23 -0.11 -0.01 -0.02 -0.04 0.89 0.71 1of0A1 PHE 207 H 0.31 0.69 0.38 -0.55 8.34 9.16 1of0A1 PHE 207 HA 0.05 0.17 0.95 -0.75 4.62 5.04 1of0A1 PHE 207 HB2 0.05 -0.04 -0.12 -0.04 3.15 2.99 1of0A1 PHE 207 HB3 0.09 -0.02 -0.05 -0.04 3.06 3.04 1of0A1 PHE 207 HD2 0.05 -0.01 -0.13 -0.04 7.28 7.15 1of0A1 PHE 207 HE2 -0.02 -0.00 -0.07 -0.04 7.38 7.24 1of0A1 PHE 207 HZ -0.04 -0.02 -0.05 -0.04 7.32 7.16 1of0A1 TYR 208 H -0.64 0.31 0.10 -0.55 8.29 7.51 1of0A1 TYR 208 HA -0.70 0.14 0.79 -0.75 4.56 4.04 1of0A1 TYR 208 HB2 -0.80 0.02 -0.13 -0.04 3.06 2.11 1of0A1 TYR 208 HB3 -0.59 -0.02 0.05 -0.04 2.98 2.38 1of0A1 TYR 208 HD2 -1.51 0.05 -0.10 -0.04 7.15 5.55 1of0A1 TYR 208 HE2 -0.64 -0.03 -0.05 -0.04 6.85 6.10 1of0A1 PRO 209 HA -0.36 -0.06 0.44 -0.51 4.44 3.96 1of0A1 PRO 209 HB2 -0.19 0.11 -0.03 -0.04 2.28 2.12 1of0A1 PRO 209 HB3 -0.07 0.02 0.11 -0.04 2.02 2.04 1of0A1 PRO 209 HG2 -0.92 0.04 0.05 -0.04 2.03 1.15 1of0A1 PRO 209 HG3 -0.27 0.03 0.07 -0.04 2.03 1.82 1of0A1 PRO 209 HD2 -1.86 0.09 0.19 -0.04 3.68 2.06 1of0A1 PRO 209 HD3 -0.13 0.12 0.13 -0.04 3.65 3.73 1of0A1 SER 210 H -0.14 0.10 0.24 -0.55 8.46 8.11 1of0A1 SER 210 HA -0.13 0.12 0.62 -0.75 4.49 4.34 1of0A1 SER 210 HB2 -0.10 0.02 0.15 -0.04 3.95 3.98 1of0A1 SER 210 HB3 -0.04 0.00 0.08 -0.04 3.93 3.93 1of0A1 ALA 211 H -0.08 0.11 -0.07 -0.55 8.40 7.81 1of0A1 ALA 211 HA -0.07 0.28 0.35 -0.75 4.34 4.16 1of0A1 ALA 211 HB3 -0.04 0.03 0.01 -0.04 1.41 1.37 1of0A1 PRO 212 HA -0.02 0.01 0.44 -0.51 4.44 4.35 1of0A1 PRO 212 HB2 -0.00 0.07 -0.11 -0.04 2.28 2.19 1of0A1 PRO 212 HB3 -0.00 -0.02 0.10 -0.04 2.02 2.06 1of0A1 PRO 212 HG2 -0.00 0.05 0.05 -0.04 2.03 2.08 1of0A1 PRO 212 HG3 -0.01 0.03 0.06 -0.04 2.03 2.06 1of0A1 PRO 212 HD2 -0.03 0.09 0.13 -0.04 3.68 3.83 1of0A1 PRO 212 HD3 -0.04 0.26 0.06 -0.04 3.65 3.88 1of0A1 GLU 213 H -0.01 0.07 0.12 -0.55 8.60 8.24 1of0A1 GLU 213 HA -0.00 0.02 0.44 -0.75 4.29 4.00 1of0A1 GLU 213 HB2 -0.01 -0.01 0.15 -0.04 2.09 2.17 1of0A1 GLU 213 HB3 -0.01 0.01 0.11 -0.04 1.99 2.07 1of0A1 GLU 213 HG2 -0.01 -0.01 0.00 -0.04 2.34 2.28 1of0A1 GLU 213 HG3 -0.01 0.03 -0.10 -0.04 2.34 2.22 1of0A1 ASN 214 H -0.00 0.07 0.16 -0.55 8.53 8.20 1of0A1 ASN 214 HA -0.00 -0.00 0.34 -0.75 4.76 4.34 1of0A1 ASN 214 HB2 -0.00 0.18 0.06 -0.04 2.88 3.07 1of0A1 ASN 214 HB3 -0.00 -0.01 0.09 -0.04 2.79 2.83 1of0A1 ASN 214 HD21 -0.01 -0.03 -0.07 -0.04 7.03 6.88 1of0A1 ASN 214 HD22 -0.00 0.07 -0.20 -0.04 7.74 7.57 1of0A1 PRO 215 HA -0.00 -0.01 0.29 -0.51 4.44 4.21 1of0A1 PRO 215 HB2 -0.01 -0.03 -0.04 -0.04 2.28 2.16 1of0A1 PRO 215 HB3 -0.01 0.08 -0.02 -0.04 2.02 2.03 1of0A1 PRO 215 HG2 -0.01 -0.05 -0.02 -0.04 2.03 1.92 1of0A1 PRO 215 HG3 -0.01 0.28 -0.08 -0.04 2.03 2.17 1of0A1 PRO 215 HD2 -0.00 0.03 0.12 -0.04 3.68 3.79 1of0A1 PRO 215 HD3 -0.00 -0.06 0.16 -0.04 3.65 3.72 1of0A1 SER 216 H 0.01 0.09 0.14 -0.55 8.46 8.15 1of0A1 SER 216 HA 0.01 0.13 0.53 -0.75 4.49 4.40 1of0A1 SER 216 HB2 0.02 0.06 0.11 -0.04 3.95 4.10 1of0A1 SER 216 HB3 0.03 0.02 0.08 -0.04 3.93 4.03 1of0A1 PRO 217 HA 0.01 0.13 0.43 -0.51 4.44 4.49 1of0A1 PRO 217 HB2 0.02 -0.01 0.04 -0.04 2.28 2.29 1of0A1 PRO 217 HB3 0.01 0.01 0.09 -0.04 2.02 2.10 1of0A1 PRO 217 HG2 0.01 -0.00 0.08 -0.04 2.03 2.08 1of0A1 PRO 217 HG3 0.01 0.08 0.08 -0.04 2.03 2.15 1of0A1 PRO 217 HD2 0.02 0.05 0.21 -0.04 3.68 3.92 1of0A1 PRO 217 HD3 0.01 0.22 0.25 -0.04 3.65 4.09 1of0A1 SER 218 H 0.04 0.06 -0.31 -0.55 8.46 7.70 1of0A1 SER 218 HA 0.07 0.14 0.59 -0.75 4.49 4.54 1of0A1 SER 218 HB2 0.10 0.02 0.16 -0.04 3.95 4.19 1of0A1 SER 218 HB3 0.05 -0.06 0.04 -0.04 3.93 3.92 1of0A1 LEU 219 H 0.02 0.42 -0.61 -0.55 8.37 7.66 1of0A1 LEU 219 HA -0.00 0.11 0.81 -0.75 4.35 4.51 1of0A1 LEU 219 HB2 0.02 -0.17 0.06 -0.04 1.64 1.50 1of0A1 LEU 219 HB3 -0.02 0.08 0.03 -0.04 1.64 1.69 1of0A1 LEU 219 HG -0.07 0.14 0.02 -0.04 1.64 1.69 1of0A1 LEU 219 HD13 0.03 -0.01 0.02 -0.04 0.93 0.93 1of0A1 LEU 219 HD23 -0.01 -0.05 0.04 -0.04 0.89 0.83 1of0A1 PRO 220 HA -0.17 0.05 0.43 -0.51 4.44 4.24 1of0A1 PRO 220 HB2 -0.28 0.07 0.03 -0.04 2.28 2.06 1of0A1 PRO 220 HB3 -0.29 -0.02 0.09 -0.04 2.02 1.75 1of0A1 PRO 220 HG2 -1.06 -0.04 0.07 -0.04 2.03 0.96 1of0A1 PRO 220 HG3 -1.30 0.06 0.04 -0.04 2.03 0.78 1of0A1 PRO 220 HD2 -0.31 0.06 0.20 -0.04 3.68 3.58 1of0A1 PRO 220 HD3 -0.48 0.19 0.28 -0.04 3.65 3.60 1of0A1 ASN 221 H -0.09 0.15 0.08 -0.55 8.53 8.13 1of0A1 ASN 221 HA -0.07 0.07 0.63 -0.75 4.76 4.64 1of0A1 ASN 221 HB2 -0.04 0.11 -0.17 -0.04 2.88 2.73 1of0A1 ASN 221 HB3 -0.04 -0.05 0.11 -0.04 2.79 2.77 1of0A1 ASN 221 HD21 -0.02 -0.05 -0.07 -0.04 7.03 6.85 1of0A1 ASN 221 HD22 -0.03 -0.03 -0.04 -0.04 7.74 7.61 1of0A1 PRO 222 HA -0.07 0.24 0.40 -0.51 4.44 4.50 1of0A1 PRO 222 HB2 -0.12 -0.05 -0.51 -0.04 2.28 1.56 1of0A1 PRO 222 HB3 -0.11 0.09 -0.00 -0.04 2.02 1.96 1of0A1 PRO 222 HG2 -0.08 -0.09 0.04 -0.04 2.03 1.86 1of0A1 PRO 222 HG3 -0.06 0.00 0.04 -0.04 2.03 1.96 1of0A1 PRO 222 HD2 0.01 0.16 0.33 -0.04 3.68 4.14 1of0A1 PRO 222 HD3 -0.01 0.12 0.45 -0.04 3.65 4.17 1of0A1 SER 223 H -0.09 0.65 0.16 -0.55 8.46 8.63 1of0A1 SER 223 HA -0.15 -0.01 0.77 -0.75 4.49 4.35 1of0A1 SER 223 HB2 -0.12 0.32 -0.06 -0.04 3.95 4.04 1of0A1 SER 223 HB3 -0.08 -0.07 0.14 -0.04 3.93 3.88 1of0A1 ILE 224 H -0.17 0.04 0.06 -0.55 8.25 7.62 1of0A1 ILE 224 HA -0.08 0.06 0.36 -0.75 4.18 3.76 1of0A1 ILE 224 HB -0.20 -0.03 0.08 -0.04 1.89 1.69 1of0A1 ILE 224 HG12 0.00 0.15 -0.19 -0.04 1.49 1.41 1of0A1 ILE 224 HG13 -0.04 -0.10 0.08 -0.04 1.21 1.11 1of0A1 ILE 224 HG23 -0.28 -0.01 -0.06 -0.04 0.93 0.54 1of0A1 ILE 224 HD13 -0.06 0.03 -0.05 -0.04 0.88 0.76 1of0A1 VAL 225 H -0.01 0.12 0.14 -0.55 8.24 7.94 1of0A1 VAL 225 HA 0.00 0.23 0.84 -0.75 4.13 4.45 1of0A1 VAL 225 HB -0.02 -0.02 0.08 -0.04 2.12 2.12 1of0A1 VAL 225 HG13 -0.08 0.04 -0.28 -0.04 0.97 0.61 1of0A1 VAL 225 HG23 -0.07 -0.04 -0.07 -0.04 0.95 0.74 1of0A1 PRO 226 HA 0.19 0.17 0.42 -0.51 4.44 4.71 1of0A1 PRO 226 HB2 0.13 -0.02 0.03 -0.04 2.28 2.38 1of0A1 PRO 226 HB3 0.10 0.08 0.09 -0.04 2.02 2.25 1of0A1 PRO 226 HG2 0.06 -0.00 0.03 -0.04 2.03 2.07 1of0A1 PRO 226 HG3 0.05 0.05 0.07 -0.04 2.03 2.17 1of0A1 PRO 226 HD2 0.03 0.07 0.24 -0.04 3.68 3.97 1of0A1 PRO 226 HD3 0.05 0.20 0.15 -0.04 3.65 4.02 1of0A1 ALA 227 H 0.05 0.22 -0.33 -0.55 8.40 7.80 1of0A1 ALA 227 HA 0.04 0.03 0.42 -0.75 4.34 4.07 1of0A1 ALA 227 HB3 0.03 0.04 -0.14 -0.04 1.41 1.30 1of0A1 PHE 228 H 0.08 0.16 0.08 -0.55 8.34 8.11 1of0A1 PHE 228 HA -0.12 0.23 0.91 -0.75 4.62 4.89 1of0A1 PHE 228 HB2 -0.22 0.09 -0.13 -0.04 3.15 2.86 1of0A1 PHE 228 HB3 -0.03 -0.12 0.06 -0.04 3.06 2.93 1of0A1 PHE 228 HD2 -0.22 -0.06 -0.04 -0.04 7.28 6.91 1of0A1 PHE 228 HE2 0.05 0.05 -0.07 -0.04 7.38 7.37 1of0A1 PHE 228 HZ 0.19 -0.06 -0.02 -0.04 7.32 7.39 1of0A1 CYS 229 H -0.78 0.29 0.05 -0.55 8.50 7.51 1of0A1 CYS 229 HA -0.32 0.06 0.96 -0.75 4.58 4.53 1of0A1 CYS 229 HB2 -0.26 0.01 0.06 -0.04 2.97 2.74 1of0A1 CYS 229 HB3 -0.19 0.15 -0.02 -0.04 2.97 2.86 1of0A1 GLY 230 H -0.18 0.08 0.03 -0.55 8.43 7.81 1of0A1 GLY 230 HA2 -0.12 0.06 0.38 -0.51 4.01 3.82 1of0A1 GLY 230 HA3 0.12 0.03 0.02 -0.51 4.01 3.67 1of0A1 GLU 231 H 0.03 0.10 0.16 -0.55 8.60 8.35 1of0A1 GLU 231 HA 0.02 0.12 0.60 -0.75 4.29 4.27 1of0A1 GLU 231 HB2 0.02 -0.00 0.13 -0.04 2.09 2.20 1of0A1 GLU 231 HB3 0.04 -0.01 0.16 -0.04 1.99 2.14 1of0A1 GLU 231 HG2 -0.04 0.05 0.03 -0.04 2.34 2.34 1of0A1 GLU 231 HG3 -0.02 -0.05 0.13 -0.04 2.34 2.37 1of0A1 THR 232 H -0.01 0.52 0.15 -0.55 8.28 8.39 1of0A1 THR 232 HA -0.27 0.20 1.00 -0.75 4.39 4.57 1of0A1 THR 232 HB -0.22 0.04 0.03 -0.04 4.32 4.13 1of0A1 THR 232 HG23 -1.11 0.03 -0.06 -0.04 1.22 0.03 1of0A1 ILE 233 H -1.15 0.24 0.18 -0.55 8.25 6.97 1of0A1 ILE 233 HA -0.11 0.09 1.09 -0.75 4.18 4.50 1of0A1 ILE 233 HB 0.10 0.17 0.19 -0.04 1.89 2.30 1of0A1 ILE 233 HG12 0.18 -0.07 -0.12 -0.04 1.49 1.44 1of0A1 ILE 233 HG13 0.19 -0.11 -0.30 -0.04 1.21 0.95 1of0A1 ILE 233 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.75 1of0A1 ILE 233 HD13 0.34 0.04 -0.05 -0.04 0.88 1.17 1of0A1 LEU 234 H -0.11 0.49 0.25 -0.55 8.37 8.46 1of0A1 LEU 234 HA -0.19 0.33 1.00 -0.75 4.35 4.74 1of0A1 LEU 234 HB2 -0.04 0.09 0.01 -0.04 1.64 1.66 1of0A1 LEU 234 HB3 -0.08 -0.10 -0.17 -0.04 1.64 1.25 1of0A1 LEU 234 HG -0.12 0.01 -0.52 -0.04 1.64 0.97 1of0A1 LEU 234 HD13 -0.14 -0.06 -0.41 -0.04 0.93 0.28 1of0A1 LEU 234 HD23 0.11 0.01 -0.33 -0.04 0.89 0.64 1of0A1 VAL 235 H -0.11 0.63 0.25 -0.55 8.24 8.46 1of0A1 VAL 235 HA -0.14 0.25 0.79 -0.75 4.13 4.27 1of0A1 VAL 235 HB -0.11 0.04 0.04 -0.04 2.12 2.05 1of0A1 VAL 235 HG13 -0.12 -0.01 -0.19 -0.04 0.97 0.61 1of0A1 VAL 235 HG23 -0.12 -0.01 -0.33 -0.04 0.95 0.45 1of0A1 ASN 236 H -0.17 0.50 0.26 -0.55 8.53 8.58 1of0A1 ASN 236 HA -0.22 -0.02 0.41 -0.75 4.76 4.17 1of0A1 ASN 236 HB2 -0.11 0.10 -0.09 -0.04 2.88 2.74 1of0A1 ASN 236 HB3 -0.12 0.08 0.29 -0.04 2.79 2.99 1of0A1 ASN 236 HD21 0.00 0.28 0.15 -0.04 7.03 7.42 1of0A1 ASN 236 HD22 -0.03 0.53 0.19 -0.04 7.74 8.38 1of0A1 GLY 237 H -0.34 -0.02 -0.33 -0.55 8.43 7.20 1of0A1 GLY 237 HA2 -0.52 -0.07 0.15 -0.51 4.01 3.06 1of0A1 GLY 237 HA3 -0.45 0.34 0.49 -0.51 4.01 3.87 1of0A1 LYS 238 H -0.12 0.25 -0.18 -0.55 8.42 7.81 1of0A1 LYS 238 HA -0.02 0.25 1.02 -0.75 4.32 4.82 1of0A1 LYS 238 HB2 -0.09 0.07 0.04 -0.04 1.87 1.85 1of0A1 LYS 238 HB3 -0.05 0.01 -0.08 -0.04 1.79 1.62 1of0A1 LYS 238 HG2 -0.06 0.09 -0.20 -0.04 1.46 1.25 1of0A1 LYS 238 HG3 -0.08 0.06 -0.03 -0.04 1.46 1.37 1of0A1 LYS 238 HD2 -0.05 -0.17 -0.09 -0.04 1.69 1.34 1of0A1 LYS 238 HD3 -0.01 0.19 -0.05 -0.04 1.68 1.77 1of0A1 LYS 238 HE2 -0.00 -0.20 -0.25 -0.04 2.99 2.50 1of0A1 LYS 238 HE3 0.01 0.33 0.11 -0.04 2.99 3.39 1of0A1 VAL 239 H 0.01 0.74 0.31 -0.55 8.24 8.75 1of0A1 VAL 239 HA -0.27 0.10 0.51 -0.75 4.13 3.72 1of0A1 VAL 239 HB 0.23 -0.07 0.12 -0.04 2.12 2.36 1of0A1 VAL 239 HG13 -0.39 -0.01 -0.09 -0.04 0.97 0.44 1of0A1 VAL 239 HG23 -0.09 0.02 -0.09 -0.04 0.95 0.75 1of0A1 TRP 240 H -0.51 0.55 0.38 -0.55 7.97 7.84 1of0A1 TRP 240 HA 0.08 0.34 0.42 -0.75 4.62 4.71 1of0A1 TRP 240 HB2 -0.04 -0.09 0.04 -0.04 3.23 3.09 1of0A1 TRP 240 HB3 -0.09 -0.09 0.09 -0.04 3.23 3.10 1of0A1 TRP 240 HD1 0.05 0.08 -0.28 -0.04 7.22 7.03 1of0A1 TRP 240 HE1 0.01 0.19 0.07 -0.04 10.20 10.43 1of0A1 TRP 240 HE3 -0.05 -0.01 -0.20 -0.04 7.59 7.29 1of0A1 TRP 240 HZ2 -0.01 -0.06 -0.07 -0.04 7.44 7.25 1of0A1 TRP 240 HZ3 -0.08 -0.04 -0.01 -0.04 7.13 6.95 1of0A1 TRP 240 HH2 -0.04 0.00 0.09 -0.04 7.19 7.20 1of0A1 PRO 241 HA 0.11 0.07 0.75 -0.51 4.44 4.87 1of0A1 PRO 241 HB2 -0.14 -0.00 -0.12 -0.04 2.28 1.98 1of0A1 PRO 241 HB3 -0.06 0.05 -0.13 -0.04 2.02 1.84 1of0A1 PRO 241 HG2 -0.07 -0.13 -0.09 -0.04 2.03 1.70 1of0A1 PRO 241 HG3 -0.08 0.13 0.03 -0.04 2.03 2.07 1of0A1 PRO 241 HD2 0.07 0.20 0.19 -0.04 3.68 4.10 1of0A1 PRO 241 HD3 -0.00 0.32 -0.24 -0.04 3.65 3.69 1of0A1 TYR 242 H -0.32 0.60 0.33 -0.55 8.29 8.34 1of0A1 TYR 242 HA -0.17 0.21 1.03 -0.75 4.56 4.88 1of0A1 TYR 242 HB2 -0.09 0.00 -0.02 -0.04 3.06 2.91 1of0A1 TYR 242 HB3 0.02 -0.00 -0.11 -0.04 2.98 2.84 1of0A1 TYR 242 HD2 0.02 -0.05 -0.56 -0.04 7.15 6.51 1of0A1 TYR 242 HE2 0.00 0.06 -0.39 -0.04 6.85 6.48 1of0A1 LEU 243 H -0.01 0.63 0.35 -0.55 8.37 8.79 1of0A1 LEU 243 HA -0.03 0.11 0.99 -0.75 4.35 4.66 1of0A1 LEU 243 HB2 -0.04 0.06 -0.10 -0.04 1.64 1.52 1of0A1 LEU 243 HB3 0.03 -0.06 0.04 -0.04 1.64 1.60 1of0A1 LEU 243 HG 0.08 0.00 -0.53 -0.04 1.64 1.15 1of0A1 LEU 243 HD13 0.06 -0.00 0.03 -0.04 0.93 0.98 1of0A1 LEU 243 HD23 0.33 -0.00 -0.14 -0.04 0.89 1.03 1of0A1 GLU 244 H 0.10 0.18 0.14 -0.55 8.60 8.47 1of0A1 GLU 244 HA 0.04 0.17 0.81 -0.75 4.29 4.56 1of0A1 GLU 244 HB2 0.09 0.00 0.16 -0.04 2.09 2.31 1of0A1 GLU 244 HB3 0.06 -0.01 -0.03 -0.04 1.99 1.98 1of0A1 GLU 244 HG2 0.06 0.02 0.00 -0.04 2.34 2.38 1of0A1 GLU 244 HG3 0.24 -0.01 -0.02 -0.04 2.34 2.50 1of0A1 VAL 245 H -0.11 0.61 0.36 -0.55 8.24 8.56 1of0A1 VAL 245 HA -0.00 0.20 0.92 -0.75 4.13 4.49 1of0A1 VAL 245 HB -0.91 0.07 -0.01 -0.04 2.12 1.23 1of0A1 VAL 245 HG13 -0.37 0.02 -0.31 -0.04 0.97 0.26 1of0A1 VAL 245 HG23 -0.97 -0.02 -0.21 -0.04 0.95 -0.30 1of0A1 GLU 246 H 0.42 0.12 0.08 -0.55 8.60 8.68 1of0A1 GLU 246 HA 0.10 0.45 0.54 -0.75 4.29 4.62 1of0A1 GLU 246 HB2 0.26 -0.07 -0.05 -0.04 2.09 2.20 1of0A1 GLU 246 HB3 0.10 -0.00 -0.13 -0.04 1.99 1.92 1of0A1 GLU 246 HG2 0.14 0.31 -0.45 -0.04 2.34 2.29 1of0A1 GLU 246 HG3 0.28 -0.07 -0.10 -0.04 2.34 2.41 1of0A1 PRO 247 HA 0.15 0.09 0.27 -0.51 4.44 4.43 1of0A1 PRO 247 HB2 0.04 0.09 0.19 -0.04 2.28 2.56 1of0A1 PRO 247 HB3 0.06 0.01 0.09 -0.04 2.02 2.13 1of0A1 PRO 247 HG2 0.03 -0.03 0.15 -0.04 2.03 2.14 1of0A1 PRO 247 HG3 0.03 0.02 0.10 -0.04 2.03 2.14 1of0A1 PRO 247 HD2 0.06 0.10 0.13 -0.04 3.68 3.92 1of0A1 PRO 247 HD3 0.05 0.20 0.08 -0.04 3.65 3.93 1of0A1 ARG 248 H 0.29 0.55 0.12 -0.55 8.46 8.87 1of0A1 ARG 248 HA 0.04 0.03 0.48 -0.75 4.34 4.13 1of0A1 ARG 248 HB2 -0.11 -0.11 0.16 -0.04 1.90 1.81 1of0A1 ARG 248 HB3 -0.05 0.13 -0.06 -0.04 1.80 1.78 1of0A1 ARG 248 HG2 0.02 -0.10 -0.55 -0.04 1.67 1.00 1of0A1 ARG 248 HG3 0.12 0.10 -0.33 -0.04 1.67 1.52 1of0A1 ARG 248 HD2 -0.41 -0.02 -0.08 -0.04 3.22 2.68 1of0A1 ARG 248 HD3 -0.74 -0.04 -0.09 -0.04 3.22 2.31 1of0A1 LYS 249 H -0.04 0.14 0.14 -0.55 8.42 8.11 1of0A1 LYS 249 HA 0.08 0.14 0.82 -0.75 4.32 4.60 1of0A1 LYS 249 HB2 -0.06 -0.02 0.05 -0.04 1.87 1.80 1of0A1 LYS 249 HB3 -0.02 0.11 -0.08 -0.04 1.79 1.76 1of0A1 LYS 249 HG2 -0.02 -0.05 -0.08 -0.04 1.46 1.26 1of0A1 LYS 249 HG3 -0.03 -0.09 -0.02 -0.04 1.46 1.28 1of0A1 LYS 249 HD2 -0.03 0.06 -0.24 -0.04 1.69 1.44 1of0A1 LYS 249 HD3 -0.03 -0.02 -0.13 -0.04 1.68 1.45 1of0A1 LYS 249 HE2 -0.05 -0.04 -0.42 -0.04 2.99 2.44 1of0A1 LYS 249 HE3 -0.04 -0.08 -0.45 -0.04 2.99 2.38 1of0A1 TYR 250 H 0.16 0.45 0.38 -0.55 8.29 8.73 1of0A1 TYR 250 HA -0.04 0.22 0.95 -0.75 4.56 4.94 1of0A1 TYR 250 HB2 0.13 -0.02 0.11 -0.04 3.06 3.24 1of0A1 TYR 250 HB3 -0.73 0.08 -0.09 -0.04 2.98 2.20 1of0A1 TYR 250 HD2 0.05 0.06 -0.22 -0.04 7.15 7.01 1of0A1 TYR 250 HE2 0.12 0.08 -0.02 -0.04 6.85 6.99 1of0A1 ARG 251 H -0.17 0.87 0.37 -0.55 8.46 8.98 1of0A1 ARG 251 HA -0.04 0.25 1.10 -0.75 4.34 4.91 1of0A1 ARG 251 HB2 -0.04 -0.01 0.01 -0.04 1.90 1.82 1of0A1 ARG 251 HB3 -0.05 -0.04 0.11 -0.04 1.80 1.78 1of0A1 ARG 251 HG2 0.02 -0.05 -0.24 -0.04 1.67 1.35 1of0A1 ARG 251 HG3 0.01 0.03 -0.04 -0.04 1.67 1.63 1of0A1 ARG 251 HD2 0.00 0.09 -0.10 -0.04 3.22 3.17 1of0A1 ARG 251 HD3 0.02 -0.04 -0.13 -0.04 3.22 3.03 1of0A1 PHE 252 H 0.15 0.76 0.33 -0.55 8.34 9.03 1of0A1 PHE 252 HA 0.11 0.44 0.98 -0.75 4.62 5.40 1of0A1 PHE 252 HB2 0.11 -0.10 -0.03 -0.04 3.15 3.09 1of0A1 PHE 252 HB3 0.12 0.00 -0.13 -0.04 3.06 3.00 1of0A1 PHE 252 HD2 0.15 0.07 -0.20 -0.04 7.28 7.25 1of0A1 PHE 252 HE2 0.14 -0.01 -0.15 -0.04 7.38 7.32 1of0A1 PHE 252 HZ 0.01 -0.02 -0.15 -0.04 7.32 7.12 1of0A1 ARG 253 H 0.18 0.55 0.09 -0.55 8.46 8.73 1of0A1 ARG 253 HA 0.06 0.16 0.81 -0.75 4.34 4.61 1of0A1 ARG 253 HB2 0.05 -0.11 0.16 -0.04 1.90 1.96 1of0A1 ARG 253 HB3 0.03 0.04 -0.03 -0.04 1.80 1.80 1of0A1 ARG 253 HG2 0.07 0.03 -0.35 -0.04 1.67 1.38 1of0A1 ARG 253 HG3 0.05 0.02 -0.19 -0.04 1.67 1.51 1of0A1 ARG 253 HD2 0.03 0.01 -0.17 -0.04 3.22 3.05 1of0A1 ARG 253 HD3 0.05 -0.01 -0.39 -0.04 3.22 2.83 1of0A1 VAL 254 H 0.07 0.63 0.18 -0.55 8.24 8.57 1of0A1 VAL 254 HA -0.01 0.15 0.70 -0.75 4.13 4.21 1of0A1 VAL 254 HB 0.07 -0.09 0.14 -0.04 2.12 2.21 1of0A1 VAL 254 HG13 -0.04 -0.00 -0.14 -0.04 0.97 0.75 1of0A1 VAL 254 HG23 0.08 0.02 -0.11 -0.04 0.95 0.91 1of0A1 ILE 255 H -0.14 0.71 0.38 -0.55 8.25 8.65 1of0A1 ILE 255 HA -0.27 0.29 1.00 -0.75 4.18 4.45 1of0A1 ILE 255 HB -0.30 -0.10 0.04 -0.04 1.89 1.49 1of0A1 ILE 255 HG12 -0.21 0.08 -0.32 -0.04 1.49 1.01 1of0A1 ILE 255 HG13 -0.11 -0.02 -0.63 -0.04 1.21 0.41 1of0A1 ILE 255 HG23 -0.98 0.01 -0.34 -0.04 0.93 -0.43 1of0A1 ILE 255 HD13 -0.06 -0.02 -0.17 -0.04 0.88 0.59 1of0A1 ASN 256 H -0.31 0.60 0.12 -0.55 8.53 8.40 1of0A1 ASN 256 HA -0.15 0.10 0.78 -0.75 4.76 4.73 1of0A1 ASN 256 HB2 -0.01 0.01 -0.04 -0.04 2.88 2.80 1of0A1 ASN 256 HB3 -0.11 -0.01 0.19 -0.04 2.79 2.82 1of0A1 ASN 256 HD21 0.08 0.43 0.09 -0.04 7.03 7.59 1of0A1 ASN 256 HD22 0.14 0.29 -0.25 -0.04 7.74 7.89 1of0A1 ALA 257 H -0.22 0.55 0.20 -0.55 8.40 8.38 1of0A1 ALA 257 HA -0.63 0.16 0.75 -0.75 4.34 3.87 1of0A1 ALA 257 HB3 -0.19 -0.00 -0.07 -0.04 1.41 1.11 1of0A1 SER 258 H 0.02 0.07 -0.30 -0.55 8.46 7.70 1of0A1 SER 258 HA 0.14 0.16 0.85 -0.75 4.49 4.88 1of0A1 SER 258 HB2 0.14 0.20 0.01 -0.04 3.95 4.25 1of0A1 SER 258 HB3 0.16 -0.17 0.12 -0.04 3.93 4.00 1of0A1 ASN 259 H 0.21 0.15 0.20 -0.55 8.53 8.55 1of0A1 ASN 259 HA 0.13 0.11 0.44 -0.75 4.76 4.69 1of0A1 ASN 259 HB2 0.27 -0.04 0.23 -0.04 2.88 3.30 1of0A1 ASN 259 HB3 0.13 -0.11 0.04 -0.04 2.79 2.81 1of0A1 ASN 259 HD21 -0.08 0.51 0.18 -0.04 7.03 7.60 1of0A1 ASN 259 HD22 0.02 -0.13 0.02 -0.04 7.74 7.60 1of0A1 THR 260 H 0.16 -0.01 0.09 -0.55 8.28 7.97 1of0A1 THR 260 HA 0.02 0.23 1.12 -0.75 4.39 5.00 1of0A1 THR 260 HB 0.04 0.36 0.26 -0.04 4.32 4.94 1of0A1 THR 260 HG23 -0.05 -0.00 -0.12 -0.04 1.22 1.01 1of0A1 ARG 261 H 0.01 -0.00 0.18 -0.55 8.46 8.09 1of0A1 ARG 261 HA -0.15 -0.01 0.38 -0.75 4.34 3.81 1of0A1 ARG 261 HB2 -0.13 -0.04 0.18 -0.04 1.90 1.88 1of0A1 ARG 261 HB3 -0.18 -0.08 0.07 -0.04 1.80 1.57 1of0A1 ARG 261 HG2 -1.01 0.06 -0.49 -0.04 1.67 0.19 1of0A1 ARG 261 HG3 -0.33 0.04 -0.06 -0.04 1.67 1.27 1of0A1 ARG 261 HD2 -0.21 -0.09 -0.09 -0.04 3.22 2.79 1of0A1 ARG 261 HD3 -0.32 0.10 -0.12 -0.04 3.22 2.84 1of0A1 THR 262 H -0.21 0.16 0.18 -0.55 8.28 7.86 1of0A1 THR 262 HA -0.11 0.25 0.91 -0.75 4.39 4.69 1of0A1 THR 262 HB -0.07 -0.02 0.09 -0.04 4.32 4.28 1of0A1 THR 262 HG23 -0.00 -0.03 -0.31 -0.04 1.22 0.83 1of0A1 TYR 263 H 0.04 0.64 0.23 -0.55 8.29 8.65 1of0A1 TYR 263 HA -0.05 0.20 0.89 -0.75 4.56 4.83 1of0A1 TYR 263 HB2 -0.12 0.03 0.04 -0.04 3.06 2.96 1of0A1 TYR 263 HB3 -0.12 -0.02 -0.06 -0.04 2.98 2.74 1of0A1 TYR 263 HD2 -0.05 0.08 -0.08 -0.04 7.15 7.06 1of0A1 TYR 263 HE2 -0.02 0.03 -0.13 -0.04 6.85 6.69 1of0A1 ASN 264 H 0.02 0.14 0.10 -0.55 8.53 8.25 1of0A1 ASN 264 HA -0.13 0.29 0.88 -0.75 4.76 5.05 1of0A1 ASN 264 HB2 -0.03 0.01 -0.07 -0.04 2.88 2.75 1of0A1 ASN 264 HB3 -0.03 -0.23 0.23 -0.04 2.79 2.71 1of0A1 ASN 264 HD21 -0.01 0.00 -0.16 -0.04 7.03 6.82 1of0A1 ASN 264 HD22 -0.03 -0.03 -0.17 -0.04 7.74 7.47 1of0A1 LEU 265 H -0.52 0.39 0.12 -0.55 8.37 7.81 1of0A1 LEU 265 HA -0.12 0.52 0.83 -0.75 4.35 4.82 1of0A1 LEU 265 HB2 -1.18 -0.04 -0.02 -0.04 1.64 0.36 1of0A1 LEU 265 HB3 -0.29 0.01 0.01 -0.04 1.64 1.33 1of0A1 LEU 265 HG -0.49 -0.02 -0.12 -0.04 1.64 0.97 1of0A1 LEU 265 HD13 -0.36 0.00 -0.14 -0.04 0.93 0.40 1of0A1 LEU 265 HD23 -0.14 -0.01 -0.26 -0.04 0.89 0.44 1of0A1 SER 266 H 0.06 0.47 0.37 -0.55 8.46 8.81 1of0A1 SER 266 HA 0.28 0.15 0.50 -0.75 4.49 4.67 1of0A1 SER 266 HB2 -0.00 0.06 0.17 -0.04 3.95 4.13 1of0A1 SER 266 HB3 0.04 0.07 -0.00 -0.04 3.93 4.00 1of0A1 LEU 267 H -0.17 0.37 0.19 -0.55 8.37 8.20 1of0A1 LEU 267 HA -0.01 0.33 1.03 -0.75 4.35 4.96 1of0A1 LEU 267 HB2 -0.26 0.09 0.09 -0.04 1.64 1.52 1of0A1 LEU 267 HB3 -0.14 -0.11 0.00 -0.04 1.64 1.35 1of0A1 LEU 267 HG -0.73 -0.01 -0.26 -0.04 1.64 0.59 1of0A1 LEU 267 HD13 -0.42 0.02 -0.30 -0.04 0.93 0.19 1of0A1 LEU 267 HD23 0.21 0.02 -0.20 -0.04 0.89 0.88 1of0A1 ASP 268 H -0.03 0.54 0.33 -0.55 8.40 8.69 1of0A1 ASP 268 HA -0.04 0.13 0.42 -0.75 4.63 4.38 1of0A1 ASP 268 HB2 -0.03 0.04 0.19 -0.04 2.71 2.86 1of0A1 ASP 268 HB3 -0.02 0.07 0.18 -0.04 2.70 2.89 1of0A1 ASN 269 H -0.12 0.02 -0.43 -0.55 8.53 7.45 1of0A1 ASN 269 HA -0.09 0.22 0.77 -0.75 4.76 4.90 1of0A1 ASN 269 HB2 -0.20 0.06 0.14 -0.04 2.88 2.84 1of0A1 ASN 269 HB3 -0.17 -0.01 0.04 -0.04 2.79 2.60 1of0A1 ASN 269 HD21 -1.86 0.01 -0.06 -0.04 7.03 5.07 1of0A1 ASN 269 HD22 -0.96 0.06 -0.03 -0.04 7.74 6.78 1of0A1 GLY 270 H -0.10 0.46 -0.23 -0.55 8.43 8.01 1of0A1 GLY 270 HA2 -0.08 0.07 0.36 -0.51 4.01 3.86 1of0A1 GLY 270 HA3 -0.06 0.04 0.39 -0.51 4.01 3.88 1of0A1 GLY 271 H -0.21 -0.11 -0.48 -0.55 8.43 7.08 1of0A1 GLY 271 HA2 -0.01 0.05 0.38 -0.51 4.01 3.91 1of0A1 GLY 271 HA3 -0.16 -0.01 0.25 -0.51 4.01 3.58 1of0A1 ASP 272 H -0.07 0.05 0.18 -0.55 8.40 8.02 1of0A1 ASP 272 HA -0.21 0.28 1.02 -0.75 4.63 4.96 1of0A1 ASP 272 HB2 -0.03 -0.10 0.07 -0.04 2.71 2.61 1of0A1 ASP 272 HB3 0.00 0.11 0.11 -0.04 2.70 2.89 1of0A1 PHE 273 H 0.07 0.83 0.43 -0.55 8.34 9.12 1of0A1 PHE 273 HA 0.04 0.16 0.81 -0.75 4.62 4.88 1of0A1 PHE 273 HB2 0.17 -0.04 -0.00 -0.04 3.15 3.24 1of0A1 PHE 273 HB3 0.14 -0.03 -0.06 -0.04 3.06 3.07 1of0A1 PHE 273 HD2 0.19 -0.01 -0.27 -0.04 7.28 7.15 1of0A1 PHE 273 HE2 0.02 0.06 -0.34 -0.04 7.38 7.08 1of0A1 PHE 273 HZ -0.01 -0.02 -0.33 -0.04 7.32 6.91 1of0A1 ILE 274 H 0.18 0.53 0.25 -0.55 8.25 8.67 1of0A1 ILE 274 HA 0.07 0.23 0.99 -0.75 4.18 4.71 1of0A1 ILE 274 HB 0.04 -0.03 0.23 -0.04 1.89 2.09 1of0A1 ILE 274 HG12 0.02 0.02 -0.13 -0.04 1.49 1.36 1of0A1 ILE 274 HG13 0.03 -0.02 -0.29 -0.04 1.21 0.89 1of0A1 ILE 274 HG23 -0.00 0.00 -0.18 -0.04 0.93 0.71 1of0A1 ILE 274 HD13 -0.01 -0.01 -0.08 -0.04 0.88 0.74 1of0A1 GLN 275 H 0.04 0.55 0.19 -0.55 8.47 8.71 1of0A1 GLN 275 HA -0.05 0.09 0.74 -0.75 4.36 4.38 1of0A1 GLN 275 HB2 -0.07 -0.04 0.10 -0.04 2.15 2.09 1of0A1 GLN 275 HB3 -0.05 0.01 0.21 -0.04 2.02 2.15 1of0A1 GLN 275 HG2 -0.20 -0.02 -0.23 -0.04 2.40 1.92 1of0A1 GLN 275 HG3 -0.29 0.06 0.16 -0.04 2.39 2.27 1of0A1 GLN 275 HE21 -1.54 -0.05 0.11 -0.04 6.97 5.45 1of0A1 GLN 275 HE22 -0.87 0.44 0.21 -0.04 7.69 7.42 1of0A1 ILE 276 H -0.06 0.69 0.55 -0.55 8.25 8.88 1of0A1 ILE 276 HA -0.05 0.17 0.94 -0.75 4.18 4.48 1of0A1 ILE 276 HB -0.03 -0.02 0.07 -0.04 1.89 1.87 1of0A1 ILE 276 HG12 -0.01 0.05 -0.18 -0.04 1.49 1.30 1of0A1 ILE 276 HG13 -0.03 -0.01 -0.24 -0.04 1.21 0.88 1of0A1 ILE 276 HG23 -0.02 0.04 -0.14 -0.04 0.93 0.78 1of0A1 ILE 276 HD13 -0.00 -0.01 -0.14 -0.04 0.88 0.69 1of0A1 GLY 277 H -0.13 0.35 0.38 -0.55 8.43 8.48 1of0A1 GLY 277 HA2 -0.09 0.12 0.83 -0.51 4.01 4.35 1of0A1 GLY 277 HA3 -0.07 0.01 0.22 -0.51 4.01 3.65 1of0A1 SER 278 H -0.09 0.68 0.32 -0.55 8.46 8.83 1of0A1 SER 278 HA -0.28 0.25 1.04 -0.75 4.49 4.75 1of0A1 SER 278 HB2 -0.13 -0.12 0.33 -0.04 3.95 3.99 1of0A1 SER 278 HB3 -0.24 0.12 0.16 -0.04 3.93 3.93 1of0A1 ASP 279 H -0.07 0.11 0.37 -0.55 8.40 8.26 1of0A1 ASP 279 HA -0.01 0.11 0.46 -0.75 4.63 4.44 1of0A1 ASP 279 HB2 -0.03 -0.11 0.23 -0.04 2.71 2.76 1of0A1 ASP 279 HB3 0.04 0.12 0.16 -0.04 2.70 2.98 1of0A1 GLY 280 H 0.01 0.53 -0.12 -0.55 8.43 8.30 1of0A1 GLY 280 HA2 -0.01 0.14 0.44 -0.51 4.01 4.07 1of0A1 GLY 280 HA3 0.11 -0.11 0.17 -0.51 4.01 3.66 1of0A1 GLY 281 H 0.01 0.57 -0.18 -0.55 8.43 8.27 1of0A1 GLY 281 HA2 0.00 0.00 0.39 -0.51 4.01 3.89 1of0A1 GLY 281 HA3 0.02 0.24 0.99 -0.51 4.01 4.75 1of0A1 LEU 282 H 0.02 0.13 0.16 -0.55 8.37 8.14 1of0A1 LEU 282 HA -0.02 0.13 0.59 -0.75 4.35 4.30 1of0A1 LEU 282 HB2 0.02 -0.08 0.08 -0.04 1.64 1.62 1of0A1 LEU 282 HB3 -0.01 0.17 -0.04 -0.04 1.64 1.72 1of0A1 LEU 282 HG 0.01 -0.08 0.08 -0.04 1.64 1.61 1of0A1 LEU 282 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 1of0A1 LEU 282 HD23 -0.01 -0.00 -0.04 -0.04 0.89 0.79 1of0A1 LEU 283 H -0.06 0.55 0.25 -0.55 8.37 8.57 1of0A1 LEU 283 HA -0.10 0.03 0.49 -0.75 4.35 4.01 1of0A1 LEU 283 HB2 -0.10 0.04 -0.17 -0.04 1.64 1.38 1of0A1 LEU 283 HB3 -0.13 0.02 0.02 -0.04 1.64 1.52 1of0A1 LEU 283 HG -0.14 -0.13 -0.23 -0.04 1.64 1.10 1of0A1 LEU 283 HD13 -0.14 0.03 -0.16 -0.04 0.93 0.62 1of0A1 LEU 283 HD23 -0.14 0.03 -0.00 -0.04 0.89 0.73 1of0A1 PRO 284 HA -0.22 0.14 0.52 -0.51 4.44 4.37 1of0A1 PRO 284 HB2 -1.45 -0.06 0.03 -0.04 2.28 0.77 1of0A1 PRO 284 HB3 -0.70 0.05 -0.07 -0.04 2.02 1.26 1of0A1 PRO 284 HG2 -0.38 -0.04 0.13 -0.04 2.03 1.70 1of0A1 PRO 284 HG3 -0.45 0.08 0.12 -0.04 2.03 1.73 1of0A1 PRO 284 HD2 -0.19 0.07 0.12 -0.04 3.68 3.64 1of0A1 PRO 284 HD3 -0.24 0.16 0.15 -0.04 3.65 3.67 1of0A1 ARG 285 H -0.18 0.21 -0.04 -0.55 8.46 7.90 1of0A1 ARG 285 HA -0.05 0.30 1.06 -0.75 4.34 4.90 1of0A1 ARG 285 HB2 -0.03 -0.04 0.06 -0.04 1.90 1.85 1of0A1 ARG 285 HB3 -0.02 0.05 0.08 -0.04 1.80 1.87 1of0A1 ARG 285 HG2 -0.12 -0.09 -0.38 -0.04 1.67 1.04 1of0A1 ARG 285 HG3 0.16 -0.04 -0.04 -0.04 1.67 1.70 1of0A1 ARG 285 HD2 0.12 -0.05 -0.05 -0.04 3.22 3.21 1of0A1 ARG 285 HD3 0.19 0.13 0.05 -0.04 3.22 3.54 1of0A1 SER 286 H -0.06 0.39 0.29 -0.55 8.46 8.52 1of0A1 SER 286 HA -0.05 0.20 0.53 -0.75 4.49 4.41 1of0A1 SER 286 HB2 -0.03 -0.07 -0.03 -0.04 3.95 3.77 1of0A1 SER 286 HB3 -0.05 0.11 0.10 -0.04 3.93 4.05 1of0A1 VAL 287 H -0.03 0.53 0.27 -0.55 8.24 8.47 1of0A1 VAL 287 HA -0.00 0.15 1.01 -0.75 4.13 4.54 1of0A1 VAL 287 HB -0.00 -0.09 0.08 -0.04 2.12 2.07 1of0A1 VAL 287 HG13 0.03 0.00 -0.08 -0.04 0.97 0.87 1of0A1 VAL 287 HG23 -0.03 0.03 -0.24 -0.04 0.95 0.67 1of0A1 LYS 288 H 0.02 0.15 0.15 -0.55 8.42 8.18 1of0A1 LYS 288 HA 0.05 0.21 0.76 -0.75 4.32 4.59 1of0A1 LYS 288 HB2 0.01 -0.00 0.11 -0.04 1.87 1.95 1of0A1 LYS 288 HB3 0.02 -0.03 0.19 -0.04 1.79 1.93 1of0A1 LYS 288 HG2 0.03 0.01 -0.21 -0.04 1.46 1.25 1of0A1 LYS 288 HG3 0.02 0.02 0.02 -0.04 1.46 1.47 1of0A1 LYS 288 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.62 1of0A1 LYS 288 HD3 0.00 -0.00 -0.03 -0.04 1.68 1.61 1of0A1 LYS 288 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.94 1of0A1 LYS 288 HE3 -0.00 0.00 0.02 -0.04 2.99 2.97 1of0A1 LEU 289 H 0.14 0.75 0.46 -0.55 8.37 9.17 1of0A1 LEU 289 HA 0.12 0.16 1.04 -0.75 4.35 4.92 1of0A1 LEU 289 HB2 0.35 -0.06 0.01 -0.04 1.64 1.91 1of0A1 LEU 289 HB3 0.29 0.13 0.10 -0.04 1.64 2.12 1of0A1 LEU 289 HG 0.12 0.08 -0.40 -0.04 1.64 1.39 1of0A1 LEU 289 HD13 0.19 -0.01 -0.04 -0.04 0.93 1.04 1of0A1 LEU 289 HD23 0.13 0.04 0.00 -0.04 0.89 1.02 1of0A1 ASN 290 H 0.12 0.15 0.26 -0.55 8.53 8.51 1of0A1 ASN 290 HA -0.01 0.20 0.83 -0.75 4.76 5.02 1of0A1 ASN 290 HB2 0.02 -0.00 0.07 -0.04 2.88 2.93 1of0A1 ASN 290 HB3 0.05 -0.02 0.10 -0.04 2.79 2.87 1of0A1 ASN 290 HD21 -0.01 -0.01 -0.01 -0.04 7.03 6.96 1of0A1 ASN 290 HD22 0.02 -0.03 -0.11 -0.04 7.74 7.58 1of0A1 SER 291 H 0.22 0.13 0.19 -0.55 8.46 8.46 1of0A1 SER 291 HA 0.28 0.32 0.55 -0.75 4.49 4.89 1of0A1 SER 291 HB2 0.02 0.10 0.06 -0.04 3.95 4.08 1of0A1 SER 291 HB3 0.06 0.07 -0.15 -0.04 3.93 3.87 1of0A1 PHE 292 H -0.24 0.47 0.20 -0.55 8.34 8.22 1of0A1 PHE 292 HA -0.00 0.03 0.51 -0.75 4.62 4.41 1of0A1 PHE 292 HB2 -0.23 0.05 0.09 -0.04 3.15 3.02 1of0A1 PHE 292 HB3 0.02 0.09 -0.13 -0.04 3.06 3.00 1of0A1 PHE 292 HD2 -0.56 0.10 -0.42 -0.04 7.28 6.37 1of0A1 PHE 292 HE2 -1.08 0.01 -0.20 -0.04 7.38 6.06 1of0A1 PHE 292 HZ -0.47 0.01 -0.15 -0.04 7.32 6.68 1of0A1 SER 293 H 0.13 0.12 0.17 -0.55 8.46 8.33 1of0A1 SER 293 HA -0.04 0.23 0.86 -0.75 4.49 4.78 1of0A1 SER 293 HB2 0.07 -0.02 0.08 -0.04 3.95 4.03 1of0A1 SER 293 HB3 0.12 -0.01 0.08 -0.04 3.93 4.07 1of0A1 LEU 294 H 0.01 0.62 0.23 -0.55 8.37 8.69 1of0A1 LEU 294 HA 0.08 0.10 0.72 -0.75 4.35 4.50 1of0A1 LEU 294 HB2 0.02 0.02 -0.30 -0.04 1.64 1.33 1of0A1 LEU 294 HB3 0.05 -0.09 0.09 -0.04 1.64 1.66 1of0A1 LEU 294 HG 0.03 0.14 -0.18 -0.04 1.64 1.60 1of0A1 LEU 294 HD13 0.10 0.02 -0.29 -0.04 0.93 0.72 1of0A1 LEU 294 HD23 -0.02 -0.02 -0.23 -0.04 0.89 0.58 1of0A1 ALA 295 H 0.09 0.10 0.04 -0.55 8.40 8.08 1of0A1 ALA 295 HA 0.04 0.10 0.65 -0.75 4.34 4.37 1of0A1 ALA 295 HB3 0.09 0.00 0.02 -0.04 1.41 1.48 1of0A1 PRO 296 HA 0.01 -0.00 0.44 -0.51 4.44 4.38 1of0A1 PRO 296 HB2 0.19 -0.06 -0.01 -0.04 2.28 2.36 1of0A1 PRO 296 HB3 0.16 0.28 0.08 -0.04 2.02 2.51 1of0A1 PRO 296 HG2 0.07 0.00 -0.04 -0.04 2.03 2.02 1of0A1 PRO 296 HG3 0.05 0.06 -0.29 -0.04 2.03 1.80 1of0A1 PRO 296 HD2 0.07 -0.03 0.12 -0.04 3.68 3.80 1of0A1 PRO 296 HD3 0.01 0.12 0.03 -0.04 3.65 3.77 1of0A1 ALA 297 H -0.19 0.63 0.33 -0.55 8.40 8.63 1of0A1 ALA 297 HA -0.22 0.06 0.38 -0.75 4.34 3.80 1of0A1 ALA 297 HB3 -0.55 0.05 0.02 -0.04 1.41 0.89 1of0A1 GLU 298 H -0.05 0.44 -0.49 -0.55 8.60 7.95 1of0A1 GLU 298 HA 0.00 0.03 0.59 -0.75 4.29 4.15 1of0A1 GLU 298 HB2 0.05 0.09 0.06 -0.04 2.09 2.26 1of0A1 GLU 298 HB3 0.13 -0.01 0.04 -0.04 1.99 2.11 1of0A1 GLU 298 HG2 0.10 0.12 0.01 -0.04 2.34 2.53 1of0A1 GLU 298 HG3 0.09 0.09 -0.16 -0.04 2.34 2.32 1of0A1 ARG 299 H 0.02 0.11 0.26 -0.55 8.46 8.30 1of0A1 ARG 299 HA -0.04 0.35 1.04 -0.75 4.34 4.93 1of0A1 ARG 299 HB2 -0.03 -0.05 0.05 -0.04 1.90 1.82 1of0A1 ARG 299 HB3 -0.04 -0.02 -0.13 -0.04 1.80 1.57 1of0A1 ARG 299 HG2 -0.11 -0.02 -0.24 -0.04 1.67 1.26 1of0A1 ARG 299 HG3 -0.28 0.01 -0.17 -0.04 1.67 1.19 1of0A1 ARG 299 HD2 -0.24 -0.05 -0.21 -0.04 3.22 2.69 1of0A1 ARG 299 HD3 -0.15 0.04 -0.22 -0.04 3.22 2.85 1of0A1 TYR 300 H 0.09 0.60 0.25 -0.55 8.29 8.68 1of0A1 TYR 300 HA -0.16 0.27 1.05 -0.75 4.56 4.96 1of0A1 TYR 300 HB2 -0.19 -0.02 0.04 -0.04 3.06 2.85 1of0A1 TYR 300 HB3 -0.46 -0.05 -0.09 -0.04 2.98 2.35 1of0A1 TYR 300 HD2 -0.59 -0.06 -0.23 -0.04 7.15 6.23 1of0A1 TYR 300 HE2 -0.22 -0.04 0.01 -0.04 6.85 6.56 1of0A1 ASP 301 H -0.17 0.67 0.21 -0.55 8.40 8.57 1of0A1 ASP 301 HA 0.02 0.22 0.91 -0.75 4.63 5.01 1of0A1 ASP 301 HB2 -0.04 0.04 -0.07 -0.04 2.71 2.60 1of0A1 ASP 301 HB3 -0.06 -0.16 0.16 -0.04 2.70 2.60 1of0A1 ILE 302 H 0.08 0.70 0.32 -0.55 8.25 8.81 1of0A1 ILE 302 HA 0.02 0.21 1.26 -0.75 4.18 4.91 1of0A1 ILE 302 HB 0.13 -0.06 -0.07 -0.04 1.89 1.85 1of0A1 ILE 302 HG12 0.15 0.12 -0.02 -0.04 1.49 1.70 1of0A1 ILE 302 HG13 0.31 -0.05 -0.31 -0.04 1.21 1.12 1of0A1 ILE 302 HG23 -0.13 -0.02 -0.33 -0.04 0.93 0.41 1of0A1 ILE 302 HD13 0.08 -0.01 -0.19 -0.04 0.88 0.72 1of0A1 ILE 303 H 0.09 0.49 0.35 -0.55 8.25 8.64 1of0A1 ILE 303 HA 0.07 0.41 1.14 -0.75 4.18 5.06 1of0A1 ILE 303 HB 0.03 -0.01 0.17 -0.04 1.89 2.04 1of0A1 ILE 303 HG12 0.01 0.07 -0.02 -0.04 1.49 1.51 1of0A1 ILE 303 HG13 0.02 -0.06 -0.20 -0.04 1.21 0.92 1of0A1 ILE 303 HG23 0.00 -0.02 -0.19 -0.04 0.93 0.69 1of0A1 ILE 303 HD13 -0.01 -0.00 0.01 -0.04 0.88 0.83 1of0A1 ILE 304 H 0.10 0.58 0.27 -0.55 8.25 8.65 1of0A1 ILE 304 HA -0.03 0.21 0.93 -0.75 4.18 4.53 1of0A1 ILE 304 HB -0.04 0.00 0.03 -0.04 1.89 1.84 1of0A1 ILE 304 HG12 0.31 0.07 -0.09 -0.04 1.49 1.75 1of0A1 ILE 304 HG13 0.38 -0.06 -0.42 -0.04 1.21 1.07 1of0A1 ILE 304 HG23 -0.91 0.01 -0.25 -0.04 0.93 -0.25 1of0A1 ILE 304 HD13 0.08 -0.00 -0.18 -0.04 0.88 0.73 1of0A1 ASP 305 H -0.13 0.26 0.06 -0.55 8.40 8.05 1of0A1 ASP 305 HA -0.05 0.10 0.74 -0.75 4.63 4.66 1of0A1 ASP 305 HB2 -0.05 0.06 0.02 -0.04 2.71 2.70 1of0A1 ASP 305 HB3 -0.07 0.01 0.12 -0.04 2.70 2.72 1of0A1 PHE 306 H 0.14 0.66 0.15 -0.55 8.34 8.74 1of0A1 PHE 306 HA 0.25 0.15 0.64 -0.75 4.62 4.90 1of0A1 PHE 306 HB2 0.08 0.14 0.18 -0.04 3.15 3.50 1of0A1 PHE 306 HB3 0.07 -0.05 0.02 -0.04 3.06 3.07 1of0A1 PHE 306 HD2 0.04 0.07 -0.04 -0.04 7.28 7.31 1of0A1 PHE 306 HE2 -0.27 -0.01 -0.12 -0.04 7.38 6.94 1of0A1 PHE 306 HZ -2.07 0.00 -0.14 -0.04 7.32 5.07 1of0A1 THR 307 H 0.04 0.05 -0.31 -0.55 8.28 7.51 1of0A1 THR 307 HA 0.03 0.16 -0.12 -0.75 4.39 3.71 1of0A1 THR 307 HB -0.08 -0.01 -0.06 -0.04 4.32 4.12 1of0A1 THR 307 HG23 -0.04 0.04 -0.06 -0.04 1.22 1.12 1of0A1 ALA 308 H -0.34 0.10 -0.44 -0.55 8.40 7.18 1of0A1 ALA 308 HA -0.15 0.20 0.78 -0.75 4.34 4.42 1of0A1 ALA 308 HB3 -0.37 0.00 0.04 -0.04 1.41 1.05 1of0A1 TYR 309 H -0.03 0.64 -0.27 -0.55 8.29 8.08 1of0A1 TYR 309 HA 0.03 0.25 0.94 -0.75 4.56 5.02 1of0A1 TYR 309 HB2 0.15 0.03 0.06 -0.04 3.06 3.26 1of0A1 TYR 309 HB3 0.07 -0.06 0.12 -0.04 2.98 3.08 1of0A1 TYR 309 HD2 0.06 0.04 -0.03 -0.04 7.15 7.18 1of0A1 TYR 309 HE2 -0.06 0.08 -0.01 -0.04 6.85 6.81 1of0A1 GLU 310 H 0.05 0.14 -0.14 -0.55 8.60 8.11 1of0A1 GLU 310 HA 0.06 0.09 0.45 -0.75 4.29 4.14 1of0A1 GLU 310 HB2 0.03 0.05 0.16 -0.04 2.09 2.28 1of0A1 GLU 310 HB3 0.03 -0.04 0.10 -0.04 1.99 2.04 1of0A1 GLU 310 HG2 0.02 -0.01 -0.12 -0.04 2.34 2.19 1of0A1 GLU 310 HG3 0.03 0.09 0.09 -0.04 2.34 2.50 1of0A1 GLY 311 H 0.03 0.84 0.35 -0.55 8.43 9.10 1of0A1 GLY 311 HA2 0.01 -0.02 0.32 -0.51 4.01 3.80 1of0A1 GLY 311 HA3 0.02 0.06 0.58 -0.51 4.01 4.17 1of0A1 GLU 312 H 0.07 0.63 -0.24 -0.55 8.60 8.50 1of0A1 GLU 312 HA 0.01 0.11 0.61 -0.75 4.29 4.27 1of0A1 GLU 312 HB2 0.10 0.09 0.07 -0.04 2.09 2.30 1of0A1 GLU 312 HB3 0.01 -0.03 -0.09 -0.04 1.99 1.84 1of0A1 GLU 312 HG2 0.04 -0.03 -0.03 -0.04 2.34 2.27 1of0A1 GLU 312 HG3 0.09 0.11 -0.14 -0.04 2.34 2.36 1of0A1 SER 313 H -0.02 0.19 0.17 -0.55 8.46 8.25 1of0A1 SER 313 HA -0.04 0.32 0.98 -0.75 4.49 5.00 1of0A1 SER 313 HB2 -0.04 -0.05 0.18 -0.04 3.95 4.00 1of0A1 SER 313 HB3 -0.09 0.01 -0.02 -0.04 3.93 3.79 1of0A1 ILE 314 H 0.01 0.69 0.27 -0.55 8.25 8.68 1of0A1 ILE 314 HA -0.04 0.14 0.95 -0.75 4.18 4.47 1of0A1 ILE 314 HB 0.23 -0.02 0.04 -0.04 1.89 2.10 1of0A1 ILE 314 HG12 -0.12 0.03 -0.20 -0.04 1.49 1.16 1of0A1 ILE 314 HG13 0.01 0.02 -0.41 -0.04 1.21 0.79 1of0A1 ILE 314 HG23 -0.03 -0.01 -0.08 -0.04 0.93 0.77 1of0A1 ILE 314 HD13 -0.07 0.00 -0.10 -0.04 0.88 0.67 1of0A1 ILE 315 H -0.05 0.09 0.20 -0.55 8.25 7.95 1of0A1 ILE 315 HA -0.21 0.29 1.14 -0.75 4.18 4.65 1of0A1 ILE 315 HB -0.03 -0.10 0.15 -0.04 1.89 1.87 1of0A1 ILE 315 HG12 -0.38 0.08 -0.09 -0.04 1.49 1.06 1of0A1 ILE 315 HG13 -0.12 -0.06 -0.14 -0.04 1.21 0.86 1of0A1 ILE 315 HG23 0.03 0.03 -0.27 -0.04 0.93 0.68 1of0A1 ILE 315 HD13 0.15 0.01 -0.05 -0.04 0.88 0.94 1of0A1 LEU 316 H -0.15 0.72 0.32 -0.55 8.37 8.72 1of0A1 LEU 316 HA 0.10 0.15 0.71 -0.75 4.35 4.56 1of0A1 LEU 316 HB2 -0.12 0.00 0.01 -0.04 1.64 1.50 1of0A1 LEU 316 HB3 -0.12 -0.20 0.25 -0.04 1.64 1.53 1of0A1 LEU 316 HG -0.05 0.01 -0.14 -0.04 1.64 1.41 1of0A1 LEU 316 HD13 0.21 0.03 -0.08 -0.04 0.93 1.05 1of0A1 LEU 316 HD23 -0.12 0.00 -0.13 -0.04 0.89 0.60 1of0A1 ALA 317 H 0.04 0.65 0.37 -0.55 8.40 8.91 1of0A1 ALA 317 HA 0.03 0.22 0.94 -0.75 4.34 4.77 1of0A1 ALA 317 HB3 0.01 -0.01 0.00 -0.04 1.41 1.36 1of0A1 ASN 318 H 0.04 0.70 0.19 -0.55 8.53 8.91 1of0A1 ASN 318 HA 0.01 0.26 0.87 -0.75 4.76 5.15 1of0A1 ASN 318 HB2 0.12 -0.04 -0.25 -0.04 2.88 2.68 1of0A1 ASN 318 HB3 0.12 0.20 -0.03 -0.04 2.79 3.04 1of0A1 ASN 318 HD21 0.01 0.12 -0.02 -0.04 7.03 7.11 1of0A1 ASN 318 HD22 0.14 0.48 0.04 -0.04 7.74 8.35 1of0A1 SER 319 H -0.01 0.33 0.28 -0.55 8.46 8.52 1of0A1 SER 319 HA -0.00 0.21 0.91 -0.75 4.49 4.85 1of0A1 SER 319 HB2 -0.01 -0.04 0.07 -0.04 3.95 3.93 1of0A1 SER 319 HB3 -0.01 0.03 -0.06 -0.04 3.93 3.85 1of0A1 ALA 320 H -0.01 -0.08 0.11 -0.55 8.40 7.88 1of0A1 ALA 320 HA -0.03 0.03 0.57 -0.75 4.34 4.16 1of0A1 ALA 320 HB3 -0.05 0.02 -0.02 -0.04 1.41 1.32 1of0A1 GLY 321 H -0.03 0.04 0.17 -0.55 8.43 8.07 1of0A1 GLY 321 HA2 -0.04 0.13 0.56 -0.51 4.01 4.15 1of0A1 GLY 321 HA3 -0.03 0.12 0.34 -0.51 4.01 3.92 1of0A1 CYS 322 H -0.05 0.37 -0.03 -0.55 8.50 8.23 1of0A1 CYS 322 HA -0.07 0.08 0.76 -0.75 4.58 4.59 1of0A1 CYS 322 HB2 -0.13 0.08 -0.16 -0.04 2.97 2.73 1of0A1 CYS 322 HB3 -0.10 0.05 0.12 -0.04 2.97 2.99 1of0A1 GLY 323 H -0.05 0.16 0.02 -0.55 8.43 8.01 1of0A1 GLY 323 HA2 -0.04 0.01 0.28 -0.51 4.01 3.75 1of0A1 GLY 323 HA3 -0.06 0.10 0.43 -0.51 4.01 3.97 1of0A1 GLY 324 H -0.04 0.06 -0.28 -0.55 8.43 7.63 1of0A1 GLY 324 HA2 -0.03 -0.02 0.23 -0.51 4.01 3.69 1of0A1 GLY 324 HA3 -0.03 0.23 0.57 -0.51 4.01 4.26 1of0A1 ASP 325 H -0.02 0.10 0.09 -0.55 8.40 8.01 1of0A1 ASP 325 HA -0.02 0.04 0.45 -0.75 4.63 4.34 1of0A1 ASP 325 HB2 -0.02 0.01 0.03 -0.04 2.71 2.69 1of0A1 ASP 325 HB3 -0.02 0.07 0.09 -0.04 2.70 2.81 1of0A1 VAL 326 H -0.02 0.12 0.06 -0.55 8.24 7.85 1of0A1 VAL 326 HA -0.01 0.09 0.38 -0.75 4.13 3.84 1of0A1 VAL 326 HB 0.01 0.01 -0.26 -0.04 2.12 1.84 1of0A1 VAL 326 HG13 -0.00 -0.01 -0.46 -0.04 0.97 0.45 1of0A1 VAL 326 HG23 -0.01 -0.00 -0.05 -0.04 0.95 0.84 1of0A1 ASN 327 H 0.00 0.12 0.08 -0.55 8.53 8.18 1of0A1 ASN 327 HA -0.02 0.22 0.71 -0.75 4.76 4.92 1of0A1 ASN 327 HB2 -0.01 0.13 0.08 -0.04 2.88 3.04 1of0A1 ASN 327 HB3 0.00 -0.15 0.23 -0.04 2.79 2.83 1of0A1 ASN 327 HD21 -0.03 0.04 -0.01 -0.04 7.03 6.99 1of0A1 ASN 327 HD22 -0.02 0.05 0.02 -0.04 7.74 7.75 1of0A1 PRO 328 HA -0.05 0.10 0.31 -0.51 4.44 4.29 1of0A1 PRO 328 HB2 -0.06 0.00 0.02 -0.04 2.28 2.21 1of0A1 PRO 328 HB3 -0.05 0.05 0.06 -0.04 2.02 2.04 1of0A1 PRO 328 HG2 -0.03 0.02 0.07 -0.04 2.03 2.05 1of0A1 PRO 328 HG3 -0.03 0.07 0.05 -0.04 2.03 2.09 1of0A1 PRO 328 HD2 -0.04 0.05 0.19 -0.04 3.68 3.85 1of0A1 PRO 328 HD3 -0.03 0.39 0.31 -0.04 3.65 4.28 1of0A1 GLU 329 H -0.09 0.03 -0.34 -0.55 8.60 7.65 1of0A1 GLU 329 HA -0.22 0.21 0.70 -0.75 4.29 4.23 1of0A1 GLU 329 HB2 -0.11 -0.04 0.01 -0.04 2.09 1.90 1of0A1 GLU 329 HB3 -0.19 0.07 0.09 -0.04 1.99 1.93 1of0A1 GLU 329 HG2 -0.12 0.05 -0.05 -0.04 2.34 2.18 1of0A1 GLU 329 HG3 -0.09 -0.08 -0.06 -0.04 2.34 2.07 1of0A1 THR 330 H -0.11 0.33 -0.28 -0.55 8.28 7.67 1of0A1 THR 330 HA -0.62 0.32 1.12 -0.75 4.39 4.46 1of0A1 THR 330 HB 0.36 0.23 0.24 -0.04 4.32 5.11 1of0A1 THR 330 HG23 0.00 -0.01 -0.13 -0.04 1.22 1.04 1of0A1 ASP 331 H 0.15 0.11 0.20 -0.55 8.40 8.31 1of0A1 ASP 331 HA 0.39 0.18 0.35 -0.75 4.63 4.80 1of0A1 ASP 331 HB2 0.13 0.02 0.11 -0.04 2.71 2.93 1of0A1 ASP 331 HB3 0.16 0.10 0.07 -0.04 2.70 2.98 1of0A1 ALA 332 H 0.01 0.22 -0.77 -0.55 8.40 7.31 1of0A1 ALA 332 HA 0.04 0.26 0.62 -0.75 4.34 4.51 1of0A1 ALA 332 HB3 -0.02 -0.01 -0.13 -0.04 1.41 1.20 1of0A1 ASN 333 H 0.08 0.52 -0.11 -0.55 8.53 8.47 1of0A1 ASN 333 HA 0.08 0.09 0.94 -0.75 4.76 5.12 1of0A1 ASN 333 HB2 -0.55 0.13 0.04 -0.04 2.88 2.47 1of0A1 ASN 333 HB3 0.06 -0.05 -0.09 -0.04 2.79 2.66 1of0A1 ASN 333 HD21 -0.22 0.24 -0.04 -0.04 7.03 6.97 1of0A1 ASN 333 HD22 -0.43 0.13 -0.25 -0.04 7.74 7.14 1of0A1 ILE 334 H 0.13 0.43 0.25 -0.55 8.25 8.52 1of0A1 ILE 334 HA 0.20 0.13 0.79 -0.75 4.18 4.55 1of0A1 ILE 334 HB -0.04 -0.01 0.13 -0.04 1.89 1.93 1of0A1 ILE 334 HG12 0.04 0.04 -0.36 -0.04 1.49 1.17 1of0A1 ILE 334 HG13 -0.10 -0.08 -0.27 -0.04 1.21 0.72 1of0A1 ILE 334 HG23 -0.16 -0.02 -0.20 -0.04 0.93 0.52 1of0A1 ILE 334 HD13 0.04 0.03 -0.30 -0.04 0.88 0.62 1of0A1 MET 335 H -0.01 0.24 0.32 -0.55 8.47 8.47 1of0A1 MET 335 HA 0.19 0.25 0.54 -0.75 4.52 4.75 1of0A1 MET 335 HB2 -0.22 0.09 0.03 -0.04 2.15 2.02 1of0A1 MET 335 HB3 -0.11 0.10 -0.25 -0.04 2.03 1.73 1of0A1 MET 335 HG2 -0.30 -0.11 -0.13 -0.04 2.63 2.05 1of0A1 MET 335 HG3 -0.76 -0.06 -0.33 -0.04 2.56 1.38 1of0A1 MET 335 HE3 -0.51 0.01 -0.23 -0.04 2.10 1.32 1of0A1 GLN 336 H -0.31 0.58 0.32 -0.55 8.47 8.52 1of0A1 GLN 336 HA -0.49 0.16 1.13 -0.75 4.36 4.41 1of0A1 GLN 336 HB2 -2.07 -0.01 -0.17 -0.04 2.15 -0.14 1of0A1 GLN 336 HB3 -0.71 0.02 0.07 -0.04 2.02 1.36 1of0A1 GLN 336 HG2 -0.27 0.03 -0.43 -0.04 2.40 1.69 1of0A1 GLN 336 HG3 -0.43 -0.04 -0.22 -0.04 2.39 1.65 1of0A1 GLN 336 HE21 0.03 0.03 -0.09 -0.04 6.97 6.89 1of0A1 GLN 336 HE22 -0.21 -0.04 -0.15 -0.04 7.69 7.25 1of0A1 PHE 337 H -0.11 0.90 0.40 -0.55 8.34 8.97 1of0A1 PHE 337 HA -0.13 0.19 0.87 -0.75 4.62 4.79 1of0A1 PHE 337 HB2 -0.02 -0.08 0.13 -0.04 3.15 3.15 1of0A1 PHE 337 HB3 -0.36 0.01 -0.03 -0.04 3.06 2.64 1of0A1 PHE 337 HD2 -0.03 0.02 -0.11 -0.04 7.28 7.11 1of0A1 PHE 337 HE2 -0.14 0.02 -0.17 -0.04 7.38 7.05 1of0A1 PHE 337 HZ -0.61 0.01 -0.18 -0.04 7.32 6.50 1of0A1 ARG 338 H 0.00 0.70 0.32 -0.55 8.46 8.93 1of0A1 ARG 338 HA -0.04 0.29 0.97 -0.75 4.34 4.81 1of0A1 ARG 338 HB2 0.01 -0.05 0.06 -0.04 1.90 1.89 1of0A1 ARG 338 HB3 -0.04 -0.01 -0.03 -0.04 1.80 1.68 1of0A1 ARG 338 HG2 -0.09 0.04 -0.11 -0.04 1.67 1.48 1of0A1 ARG 338 HG3 -0.05 -0.02 -0.44 -0.04 1.67 1.11 1of0A1 ARG 338 HD2 -0.20 -0.05 -0.17 -0.04 3.22 2.77 1of0A1 ARG 338 HD3 -0.18 -0.00 -0.10 -0.04 3.22 2.89 1of0A1 VAL 339 H -0.05 0.71 0.09 -0.55 8.24 8.44 1of0A1 VAL 339 HA -0.15 0.27 0.55 -0.75 4.13 4.05 1of0A1 VAL 339 HB 0.04 -0.07 0.23 -0.04 2.12 2.28 1of0A1 VAL 339 HG13 0.04 0.02 -0.25 -0.04 0.97 0.73 1of0A1 VAL 339 HG23 -0.04 0.04 -0.07 -0.04 0.95 0.84 1of0A1 THR 340 H -0.02 0.45 -0.01 -0.55 8.28 8.15 1of0A1 THR 340 HA 0.01 0.16 0.97 -0.75 4.39 4.77 1of0A1 THR 340 HB -0.00 -0.01 0.10 -0.04 4.32 4.36 1of0A1 THR 340 HG23 -0.02 -0.02 -0.28 -0.04 1.22 0.86 1of0A1 LYS 341 H 0.02 0.39 -0.02 -0.55 8.42 8.26 1of0A1 LYS 341 HA 0.04 0.17 0.69 -0.75 4.32 4.46 1of0A1 LYS 341 HB2 0.06 -0.05 -0.20 -0.04 1.87 1.64 1of0A1 LYS 341 HB3 0.09 -0.10 -0.46 -0.04 1.79 1.28 1of0A1 LYS 341 HG2 0.10 0.16 -0.23 -0.04 1.46 1.45 1of0A1 LYS 341 HG3 0.06 0.00 -0.02 -0.04 1.46 1.46 1of0A1 LYS 341 HD2 0.08 0.00 -0.09 -0.04 1.69 1.64 1of0A1 LYS 341 HD3 0.14 -0.04 -0.13 -0.04 1.68 1.61 1of0A1 LYS 341 HE2 0.06 -0.01 -0.04 -0.04 2.99 2.97 1of0A1 LYS 341 HE3 0.07 0.01 -0.03 -0.04 2.99 3.00 1of0A1 PRO 342 HA 0.03 0.01 0.41 -0.51 4.44 4.39 1of0A1 PRO 342 HB2 0.03 0.04 -0.07 -0.04 2.28 2.25 1of0A1 PRO 342 HB3 0.02 0.00 0.06 -0.04 2.02 2.07 1of0A1 PRO 342 HG2 0.03 0.01 0.06 -0.04 2.03 2.08 1of0A1 PRO 342 HG3 0.02 0.06 0.06 -0.04 2.03 2.13 1of0A1 PRO 342 HD2 0.04 0.06 0.15 -0.04 3.68 3.89 1of0A1 PRO 342 HD3 0.03 0.24 0.29 -0.04 3.65 4.17 1of0A1 LEU 343 H 0.03 0.08 0.14 -0.55 8.37 8.07 1of0A1 LEU 343 HA 0.04 0.02 0.43 -0.75 4.35 4.08 1of0A1 LEU 343 HB2 0.01 -0.04 0.10 -0.04 1.64 1.67 1of0A1 LEU 343 HB3 -0.01 0.13 0.00 -0.04 1.64 1.72 1of0A1 LEU 343 HG 0.02 0.00 0.09 -0.04 1.64 1.71 1of0A1 LEU 343 HD13 -0.01 0.00 0.04 -0.04 0.93 0.93 1of0A1 LEU 343 HD23 -0.02 0.06 -0.08 -0.04 0.89 0.81 1of0A1 ALA 344 H 0.08 0.12 0.18 -0.55 8.40 8.24 1of0A1 ALA 344 HA 0.05 0.12 0.53 -0.75 4.34 4.29 1of0A1 ALA 344 HB3 0.12 0.00 0.07 -0.04 1.41 1.57 1of0A1 GLN 345 H -0.00 0.18 -0.05 -0.55 8.47 8.05 1of0A1 GLN 345 HA -0.00 0.09 0.28 -0.75 4.36 3.98 1of0A1 GLN 345 HB2 -0.00 -0.09 0.16 -0.04 2.15 2.18 1of0A1 GLN 345 HB3 0.02 0.18 -0.13 -0.04 2.02 2.05 1of0A1 GLN 345 HG2 -0.05 0.04 -0.37 -0.04 2.40 1.98 1of0A1 GLN 345 HG3 -0.01 0.03 -0.06 -0.04 2.39 2.30 1of0A1 GLN 345 HE21 0.32 -0.01 -0.05 -0.04 6.97 7.18 1of0A1 GLN 345 HE22 0.04 0.02 -0.07 -0.04 7.69 7.64 1of0A1 LYS 346 H -0.02 0.11 0.10 -0.55 8.42 8.05 1of0A1 LYS 346 HA -0.04 0.06 0.45 -0.75 4.32 4.04 1of0A1 LYS 346 HB2 -0.02 -0.00 0.09 -0.04 1.87 1.89 1of0A1 LYS 346 HB3 -0.03 -0.01 0.06 -0.04 1.79 1.76 1of0A1 LYS 346 HG2 -0.04 0.10 -0.47 -0.04 1.46 1.01 1of0A1 LYS 346 HG3 -0.03 -0.02 0.01 -0.04 1.46 1.38 1of0A1 LYS 346 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.58 1of0A1 LYS 346 HD3 -0.02 -0.01 -0.08 -0.04 1.68 1.52 1of0A1 LYS 346 HE2 -0.03 0.12 -0.06 -0.04 2.99 2.98 1of0A1 LYS 346 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.89 1of0A1 ASP 347 H -0.07 0.14 0.18 -0.55 8.40 8.10 1of0A1 ASP 347 HA -0.17 0.07 0.62 -0.75 4.63 4.39 1of0A1 ASP 347 HB2 -0.12 0.04 0.19 -0.04 2.71 2.78 1of0A1 ASP 347 HB3 -0.07 0.03 0.27 -0.04 2.70 2.88 1of0A1 GLU 348 H -0.10 0.20 0.20 -0.55 8.60 8.36 1of0A1 GLU 348 HA -0.05 0.16 0.72 -0.75 4.29 4.37 1of0A1 GLU 348 HB2 -0.04 0.01 -0.02 -0.04 2.09 2.00 1of0A1 GLU 348 HB3 -0.03 -0.00 0.10 -0.04 1.99 2.02 1of0A1 GLU 348 HG2 -0.05 0.07 -0.21 -0.04 2.34 2.11 1of0A1 GLU 348 HG3 -0.03 -0.01 0.00 -0.04 2.34 2.26 1of0A1 SER 349 H -0.10 -0.13 -0.09 -0.55 8.46 7.60 1of0A1 SER 349 HA -0.04 0.37 0.46 -0.75 4.49 4.53 1of0A1 SER 349 HB2 -0.06 0.10 -0.02 -0.04 3.95 3.93 1of0A1 SER 349 HB3 -0.10 -0.13 0.05 -0.04 3.93 3.72 1of0A1 ARG 350 H -0.03 0.49 0.19 -0.55 8.46 8.56 1of0A1 ARG 350 HA -0.03 0.09 0.80 -0.75 4.34 4.44 1of0A1 ARG 350 HB2 -0.02 0.27 0.00 -0.04 1.90 2.12 1of0A1 ARG 350 HB3 -0.02 -0.14 0.01 -0.04 1.80 1.60 1of0A1 ARG 350 HG2 -0.02 0.13 -0.42 -0.04 1.67 1.32 1of0A1 ARG 350 HG3 -0.01 -0.01 -0.08 -0.04 1.67 1.52 1of0A1 ARG 350 HD2 -0.02 -0.10 -0.02 -0.04 3.22 3.04 1of0A1 ARG 350 HD3 -0.03 0.06 0.01 -0.04 3.22 3.22 1of0A1 LYS 351 H -0.03 0.12 -0.05 -0.55 8.42 7.90 1of0A1 LYS 351 HA -0.02 0.22 0.75 -0.75 4.32 4.51 1of0A1 LYS 351 HB2 -0.03 0.02 0.08 -0.04 1.87 1.90 1of0A1 LYS 351 HB3 -0.02 -0.01 -0.08 -0.04 1.79 1.63 1of0A1 LYS 351 HG2 -0.03 -0.03 -0.01 -0.04 1.46 1.35 1of0A1 LYS 351 HG3 -0.04 -0.00 0.07 -0.04 1.46 1.46 1of0A1 LYS 351 HD2 -0.03 0.01 -0.03 -0.04 1.69 1.60 1of0A1 LYS 351 HD3 -0.03 -0.03 -0.08 -0.04 1.68 1.50 1of0A1 LYS 351 HE2 -0.04 0.01 -0.04 -0.04 2.99 2.88 1of0A1 LYS 351 HE3 -0.04 0.00 -0.02 -0.04 2.99 2.90 1of0A1 PRO 352 HA -0.06 -0.04 0.44 -0.51 4.44 4.27 1of0A1 PRO 352 HB2 -0.00 0.07 -0.08 -0.04 2.28 2.22 1of0A1 PRO 352 HB3 -0.01 0.03 0.07 -0.04 2.02 2.07 1of0A1 PRO 352 HG2 -0.01 0.02 -0.10 -0.04 2.03 1.89 1of0A1 PRO 352 HG3 -0.00 0.14 0.01 -0.04 2.03 2.14 1of0A1 PRO 352 HD2 -0.02 0.19 -0.19 -0.04 3.68 3.62 1of0A1 PRO 352 HD3 -0.02 0.10 -0.33 -0.04 3.65 3.36 1of0A1 LYS 353 H -0.18 0.05 0.18 -0.55 8.42 7.92 1of0A1 LYS 353 HA -0.14 0.14 0.69 -0.75 4.32 4.26 1of0A1 LYS 353 HB2 -0.24 0.02 0.12 -0.04 1.87 1.74 1of0A1 LYS 353 HB3 -0.65 -0.05 0.16 -0.04 1.79 1.21 1of0A1 LYS 353 HG2 -0.28 -0.02 0.02 -0.04 1.46 1.14 1of0A1 LYS 353 HG3 -0.32 0.00 -0.10 -0.04 1.46 1.00 1of0A1 LYS 353 HD2 -0.08 0.04 0.06 -0.04 1.69 1.67 1of0A1 LYS 353 HD3 -0.11 -0.04 0.19 -0.04 1.68 1.68 1of0A1 LYS 353 HE2 -0.11 0.00 0.01 -0.04 2.99 2.85 1of0A1 LYS 353 HE3 -0.09 -0.04 0.02 -0.04 2.99 2.84 1of0A1 TYR 354 H -0.22 0.01 0.06 -0.55 8.29 7.58 1of0A1 TYR 354 HA -0.02 0.18 0.71 -0.75 4.56 4.69 1of0A1 TYR 354 HB2 0.00 -0.02 0.18 -0.04 3.06 3.18 1of0A1 TYR 354 HB3 0.01 0.05 0.01 -0.04 2.98 3.01 1of0A1 TYR 354 HD2 0.02 0.07 0.01 -0.04 7.15 7.20 1of0A1 TYR 354 HE2 0.03 0.01 -0.00 -0.04 6.85 6.84 1of0A1 LEU 355 H 0.03 0.55 0.29 -0.55 8.37 8.68 1of0A1 LEU 355 HA 0.02 0.08 0.78 -0.75 4.35 4.48 1of0A1 LEU 355 HB2 -0.04 0.35 -0.04 -0.04 1.64 1.87 1of0A1 LEU 355 HB3 -0.02 -0.09 -0.03 -0.04 1.64 1.46 1of0A1 LEU 355 HG -0.03 -0.02 -0.33 -0.04 1.64 1.22 1of0A1 LEU 355 HD13 -0.05 0.01 -0.10 -0.04 0.93 0.74 1of0A1 LEU 355 HD23 -0.01 0.00 -0.16 -0.04 0.89 0.68 1of0A1 ALA 356 H -0.05 0.48 0.34 -0.55 8.40 8.62 1of0A1 ALA 356 HA 0.02 0.05 0.60 -0.75 4.34 4.25 1of0A1 ALA 356 HB3 0.01 0.02 -0.15 -0.04 1.41 1.25 1of0A1 SER 357 H 0.04 0.08 0.11 -0.55 8.46 8.14 1of0A1 SER 357 HA 0.09 -0.01 0.44 -0.75 4.49 4.26 1of0A1 SER 357 HB2 0.07 -0.02 0.11 -0.04 3.95 4.06 1of0A1 SER 357 HB3 0.08 -0.01 0.10 -0.04 3.93 4.06 1of0A1 TYR 358 H 0.33 0.03 0.19 -0.55 8.29 8.29 1of0A1 TYR 358 HA -0.04 0.25 0.61 -0.75 4.56 4.63 1of0A1 TYR 358 HB2 -0.01 -0.06 0.14 -0.04 3.06 3.09 1of0A1 TYR 358 HB3 -0.05 -0.09 0.09 -0.04 2.98 2.89 1of0A1 TYR 358 HD2 -0.03 -0.02 0.11 -0.04 7.15 7.17 1of0A1 TYR 358 HE2 0.00 0.00 0.02 -0.04 6.85 6.83 1of0A1 PRO 359 HA 0.12 0.08 0.48 -0.51 4.44 4.61 1of0A1 PRO 359 HB2 -0.64 0.06 0.04 -0.04 2.28 1.69 1of0A1 PRO 359 HB3 -1.95 0.01 0.02 -0.04 2.02 0.07 1of0A1 PRO 359 HG2 -0.85 0.17 0.11 -0.04 2.03 1.43 1of0A1 PRO 359 HG3 -0.78 0.03 0.01 -0.04 2.03 1.26 1of0A1 PRO 359 HD2 -0.15 0.17 0.35 -0.04 3.68 4.00 1of0A1 PRO 359 HD3 -0.20 0.19 0.33 -0.04 3.65 3.93 1of0A1 SER 360 H -0.00 0.15 -0.09 -0.55 8.46 7.97 1of0A1 SER 360 HA -0.02 0.16 0.42 -0.75 4.49 4.30 1of0A1 SER 360 HB2 -0.02 0.02 0.09 -0.04 3.95 4.00 1of0A1 SER 360 HB3 -0.03 0.05 0.11 -0.04 3.93 4.02 1of0A1 VAL 361 H 0.09 0.23 -0.73 -0.55 8.24 7.28 1of0A1 VAL 361 HA 0.05 -0.00 0.34 -0.75 4.13 3.76 1of0A1 VAL 361 HB 0.12 0.16 0.03 -0.04 2.12 2.39 1of0A1 VAL 361 HG13 0.09 -0.03 -0.07 -0.04 0.97 0.92 1of0A1 VAL 361 HG23 0.11 -0.06 0.06 -0.04 0.95 1.01 1of0A1 GLN 362 H 0.12 0.34 -0.36 -0.55 8.47 8.02 1of0A1 GLN 362 HA 0.12 -0.03 0.45 -0.75 4.36 4.14 1of0A1 GLN 362 HB2 0.14 0.15 0.10 -0.04 2.15 2.50 1of0A1 GLN 362 HB3 0.06 -0.07 -0.06 -0.04 2.02 1.92 1of0A1 GLN 362 HG2 0.10 -0.05 -0.04 -0.04 2.40 2.38 1of0A1 GLN 362 HG3 0.19 0.01 0.03 -0.04 2.39 2.57 1of0A1 GLN 362 HE21 0.11 -0.00 -0.02 -0.04 6.97 7.02 1of0A1 GLN 362 HE22 0.18 -0.03 -0.03 -0.04 7.69 7.77 1of0A1 HIS 363 H -0.22 0.13 0.08 -0.55 8.41 7.86 1of0A1 HIS 363 HA 0.03 0.20 0.86 -0.75 4.63 4.96 1of0A1 HIS 363 HB2 0.02 -0.04 0.03 -0.04 3.26 3.23 1of0A1 HIS 363 HB3 0.02 0.09 -0.03 -0.04 3.20 3.23 1of0A1 HIS 363 HD2 0.02 -0.03 0.06 -0.04 6.97 6.97 1of0A1 HIS 363 HE1 0.02 -0.02 0.04 -0.04 7.75 7.75 1of0A1 GLU 364 H 0.04 0.25 -0.02 -0.55 8.60 8.32 1of0A1 GLU 364 HA -0.04 0.17 0.97 -0.75 4.29 4.63 1of0A1 GLU 364 HB2 0.03 0.00 -0.05 -0.04 2.09 2.02 1of0A1 GLU 364 HB3 0.01 0.06 -0.01 -0.04 1.99 2.01 1of0A1 GLU 364 HG2 -0.03 -0.08 -0.30 -0.04 2.34 1.90 1of0A1 GLU 364 HG3 0.01 0.02 -0.11 -0.04 2.34 2.21 1of0A1 ARG 365 H 0.01 0.13 0.15 -0.55 8.46 8.20 1of0A1 ARG 365 HA 0.04 0.07 0.51 -0.75 4.34 4.21 1of0A1 ARG 365 HB2 0.03 0.01 0.08 -0.04 1.90 1.98 1of0A1 ARG 365 HB3 0.03 -0.01 0.09 -0.04 1.80 1.86 1of0A1 ARG 365 HG2 0.03 0.10 -0.29 -0.04 1.67 1.47 1of0A1 ARG 365 HG3 0.03 -0.02 -0.00 -0.04 1.67 1.63 1of0A1 ARG 365 HD2 0.02 -0.02 -0.02 -0.04 3.22 3.16 1of0A1 ARG 365 HD3 0.02 -0.01 -0.11 -0.04 3.22 3.08 1of0A1 ILE 366 H 0.04 0.13 0.12 -0.55 8.25 7.98 1of0A1 ILE 366 HA 0.06 0.16 0.60 -0.75 4.18 4.24 1of0A1 ILE 366 HB 0.04 -0.03 0.15 -0.04 1.89 2.01 1of0A1 ILE 366 HG12 0.04 -0.00 0.04 -0.04 1.49 1.53 1of0A1 ILE 366 HG13 0.04 -0.01 -0.02 -0.04 1.21 1.17 1of0A1 ILE 366 HG23 0.05 -0.02 -0.13 -0.04 0.93 0.79 1of0A1 ILE 366 HD13 0.05 0.01 -0.23 -0.04 0.88 0.67 1of0A1 GLN 367 H 0.06 0.62 0.41 -0.55 8.47 9.01 1of0A1 GLN 367 HA 0.03 0.04 0.50 -0.75 4.36 4.17 1of0A1 GLN 367 HB2 0.05 -0.04 0.16 -0.04 2.15 2.28 1of0A1 GLN 367 HB3 0.07 0.11 0.18 -0.04 2.02 2.34 1of0A1 GLN 367 HG2 0.04 -0.02 0.01 -0.04 2.40 2.39 1of0A1 GLN 367 HG3 0.03 -0.01 -0.19 -0.04 2.39 2.17 1of0A1 GLN 367 HE21 0.01 -0.03 0.04 -0.04 6.97 6.96 1of0A1 GLN 367 HE22 0.01 -0.01 0.02 -0.04 7.69 7.67 1of0A1 ASN 368 H 0.07 0.29 0.18 -0.55 8.53 8.52 1of0A1 ASN 368 HA 0.02 0.14 0.58 -0.75 4.76 4.75 1of0A1 ASN 368 HB2 0.01 0.13 -0.29 -0.04 2.88 2.69 1of0A1 ASN 368 HB3 0.04 -0.06 -0.12 -0.04 2.79 2.61 1of0A1 ASN 368 HD21 -0.09 0.03 -0.11 -0.04 7.03 6.82 1of0A1 ASN 368 HD22 -0.05 -0.03 -0.15 -0.04 7.74 7.47 1of0A1 ILE 369 H -0.01 0.26 0.11 -0.55 8.25 8.06 1of0A1 ILE 369 HA 0.05 0.23 1.02 -0.75 4.18 4.72 1of0A1 ILE 369 HB -0.00 -0.03 0.12 -0.04 1.89 1.94 1of0A1 ILE 369 HG12 0.05 0.04 -0.00 -0.04 1.49 1.54 1of0A1 ILE 369 HG13 0.03 -0.09 -0.53 -0.04 1.21 0.59 1of0A1 ILE 369 HG23 0.01 0.01 -0.13 -0.04 0.93 0.77 1of0A1 ILE 369 HD13 0.03 -0.00 -0.06 -0.04 0.88 0.80 1of0A1 ARG 370 H -0.09 0.43 0.24 -0.55 8.46 8.49 1of0A1 ARG 370 HA -0.21 0.16 0.92 -0.75 4.34 4.46 1of0A1 ARG 370 HB2 -1.03 -0.04 0.07 -0.04 1.90 0.86 1of0A1 ARG 370 HB3 -0.67 0.06 -0.08 -0.04 1.80 1.06 1of0A1 ARG 370 HG2 -0.33 0.07 -0.09 -0.04 1.67 1.28 1of0A1 ARG 370 HG3 -0.26 -0.09 -0.19 -0.04 1.67 1.09 1of0A1 ARG 370 HD2 -1.34 -0.01 -0.12 -0.04 3.22 1.71 1of0A1 ARG 370 HD3 -0.85 0.02 -0.09 -0.04 3.22 2.26 1of0A1 THR 371 H -0.16 0.22 0.19 -0.55 8.28 7.98 1of0A1 THR 371 HA -0.09 0.23 1.02 -0.75 4.39 4.79 1of0A1 THR 371 HB -0.06 -0.01 0.19 -0.04 4.32 4.39 1of0A1 THR 371 HG23 -0.04 -0.00 -0.11 -0.04 1.22 1.03 1of0A1 LEU 372 H -0.09 0.88 0.38 -0.55 8.37 9.00 1of0A1 LEU 372 HA -0.03 0.16 0.97 -0.75 4.35 4.70 1of0A1 LEU 372 HB2 -0.02 -0.02 -0.02 -0.04 1.64 1.54 1of0A1 LEU 372 HB3 0.16 -0.00 -0.04 -0.04 1.64 1.72 1of0A1 LEU 372 HG -0.47 -0.10 -0.58 -0.04 1.64 0.45 1of0A1 LEU 372 HD13 -1.25 -0.00 -0.18 -0.04 0.93 -0.54 1of0A1 LEU 372 HD23 -0.25 0.03 -0.13 -0.04 0.89 0.50 1of0A1 LYS 373 H 0.07 0.16 0.25 -0.55 8.42 8.35 1of0A1 LYS 373 HA 0.04 0.31 1.19 -0.75 4.32 5.12 1of0A1 LYS 373 HB2 0.14 0.08 0.03 -0.04 1.87 2.07 1of0A1 LYS 373 HB3 0.12 0.01 -0.06 -0.04 1.79 1.82 1of0A1 LYS 373 HG2 0.08 0.00 0.08 -0.04 1.46 1.57 1of0A1 LYS 373 HG3 0.08 -0.14 -0.12 -0.04 1.46 1.24 1of0A1 LYS 373 HD2 0.17 0.05 -0.06 -0.04 1.69 1.81 1of0A1 LYS 373 HD3 0.07 0.00 -0.09 -0.04 1.68 1.62 1of0A1 LYS 373 HE2 0.12 -0.06 -0.22 -0.04 2.99 2.79 1of0A1 LYS 373 HE3 0.32 0.03 -0.12 -0.04 2.99 3.18 1of0A1 LEU 374 H 0.07 0.69 0.38 -0.55 8.37 8.97 1of0A1 LEU 374 HA -0.00 0.08 0.88 -0.75 4.35 4.56 1of0A1 LEU 374 HB2 0.04 -0.08 0.33 -0.04 1.64 1.90 1of0A1 LEU 374 HB3 -0.22 0.02 0.09 -0.04 1.64 1.49 1of0A1 LEU 374 HG 0.10 0.11 -0.08 -0.04 1.64 1.73 1of0A1 LEU 374 HD13 0.08 -0.01 -0.02 -0.04 0.93 0.94 1of0A1 LEU 374 HD23 0.09 -0.00 -0.17 -0.04 0.89 0.77 1of0A1 ALA 375 H -0.01 0.50 0.28 -0.55 8.40 8.62 1of0A1 ALA 375 HA 0.04 0.19 0.92 -0.75 4.34 4.73 1of0A1 ALA 375 HB3 0.04 -0.01 0.08 -0.04 1.41 1.48 1of0A1 GLY 376 H -0.01 0.22 0.23 -0.55 8.43 8.32 1of0A1 GLY 376 HA2 -0.06 0.03 0.51 -0.51 4.01 3.97 1of0A1 GLY 376 HA3 -0.05 0.16 0.77 -0.51 4.01 4.38 1of0A1 THR 377 H -0.08 0.46 0.25 -0.55 8.28 8.36 1of0A1 THR 377 HA -0.02 0.19 0.85 -0.75 4.39 4.66 1of0A1 THR 377 HB -0.03 0.01 -0.05 -0.04 4.32 4.21 1of0A1 THR 377 HG23 -0.06 0.02 -0.10 -0.04 1.22 1.03 1of0A1 GLN 378 H -0.02 0.25 0.17 -0.55 8.47 8.32 1of0A1 GLN 378 HA 0.00 0.29 0.90 -0.75 4.36 4.80 1of0A1 GLN 378 HB2 0.00 -0.00 -0.20 -0.04 2.15 1.91 1of0A1 GLN 378 HB3 0.00 -0.05 0.05 -0.04 2.02 1.98 1of0A1 GLN 378 HG2 0.03 0.05 -0.19 -0.04 2.40 2.25 1of0A1 GLN 378 HG3 0.03 0.13 -0.38 -0.04 2.39 2.13 1of0A1 GLN 378 HE21 0.02 -0.07 -0.02 -0.04 6.97 6.86 1of0A1 GLN 378 HE22 0.02 0.11 -0.08 -0.04 7.69 7.70 1of0A1 ASP 379 H 0.06 0.46 0.13 -0.55 8.40 8.50 1of0A1 ASP 379 HA 0.01 0.19 0.62 -0.75 4.63 4.70 1of0A1 ASP 379 HB2 0.11 -0.08 0.20 -0.04 2.71 2.91 1of0A1 ASP 379 HB3 0.15 0.10 0.05 -0.04 2.70 2.96 1of0A1 GLU 380 H -0.11 0.18 0.17 -0.55 8.60 8.30 1of0A1 GLU 380 HA -0.12 0.12 0.43 -0.75 4.29 3.97 1of0A1 GLU 380 HB2 -0.30 0.04 0.13 -0.04 2.09 1.92 1of0A1 GLU 380 HB3 -0.18 0.01 0.15 -0.04 1.99 1.92 1of0A1 GLU 380 HG2 -0.42 -0.09 0.13 -0.04 2.34 1.91 1of0A1 GLU 380 HG3 -1.56 0.08 -0.14 -0.04 2.34 0.68 1of0A1 TYR 381 H -0.02 -0.06 -0.44 -0.55 8.29 7.22 1of0A1 TYR 381 HA 0.02 0.30 0.80 -0.75 4.56 4.93 1of0A1 TYR 381 HB2 0.04 -0.12 0.03 -0.04 3.06 2.97 1of0A1 TYR 381 HB3 0.02 0.10 0.18 -0.04 2.98 3.24 1of0A1 TYR 381 HD2 0.04 0.19 0.06 -0.04 7.15 7.40 1of0A1 TYR 381 HE2 0.02 0.03 -0.02 -0.04 6.85 6.84 1of0A1 GLY 382 H 0.06 0.42 -0.25 -0.55 8.43 8.11 1of0A1 GLY 382 HA2 0.04 0.05 0.24 -0.51 4.01 3.83 1of0A1 GLY 382 HA3 0.06 0.13 0.59 -0.51 4.01 4.29 1of0A1 ARG 383 H 0.16 -0.11 -0.25 -0.55 8.46 7.71 1of0A1 ARG 383 HA 0.09 0.20 0.57 -0.75 4.34 4.44 1of0A1 ARG 383 HB2 0.25 -0.13 -0.02 -0.04 1.90 1.95 1of0A1 ARG 383 HB3 0.16 0.16 0.03 -0.04 1.80 2.11 1of0A1 ARG 383 HG2 0.08 0.07 -0.06 -0.04 1.67 1.71 1of0A1 ARG 383 HG3 0.16 -0.08 -0.17 -0.04 1.67 1.54 1of0A1 ARG 383 HD2 0.02 0.13 -0.01 -0.04 3.22 3.32 1of0A1 ARG 383 HD3 -0.02 0.03 0.02 -0.04 3.22 3.21 1of0A1 PRO 384 HA 0.01 0.23 0.74 -0.51 4.44 4.90 1of0A1 PRO 384 HB2 -0.00 0.02 -0.01 -0.04 2.28 2.24 1of0A1 PRO 384 HB3 0.02 0.03 0.08 -0.04 2.02 2.10 1of0A1 PRO 384 HG2 0.07 0.02 0.12 -0.04 2.03 2.21 1of0A1 PRO 384 HG3 0.05 0.01 0.09 -0.04 2.03 2.13 1of0A1 PRO 384 HD2 0.09 0.08 0.23 -0.04 3.68 4.03 1of0A1 PRO 384 HD3 0.06 0.18 0.20 -0.04 3.65 4.04 1of0A1 VAL 385 H -0.08 0.60 0.15 -0.55 8.24 8.37 1of0A1 VAL 385 HA -0.42 0.23 0.89 -0.75 4.13 4.08 1of0A1 VAL 385 HB -0.22 -0.19 0.01 -0.04 2.12 1.68 1of0A1 VAL 385 HG13 -0.65 0.03 -0.18 -0.04 0.97 0.14 1of0A1 VAL 385 HG23 -0.35 0.01 -0.22 -0.04 0.95 0.35 1of0A1 LEU 386 H -0.14 0.24 0.10 -0.55 8.37 8.03 1of0A1 LEU 386 HA -0.10 0.12 0.77 -0.75 4.35 4.38 1of0A1 LEU 386 HB2 -0.12 0.04 0.14 -0.04 1.64 1.67 1of0A1 LEU 386 HB3 -0.15 -0.01 0.02 -0.04 1.64 1.47 1of0A1 LEU 386 HG -0.16 -0.01 -0.02 -0.04 1.64 1.40 1of0A1 LEU 386 HD13 -0.70 -0.02 0.01 -0.04 0.93 0.18 1of0A1 LEU 386 HD23 -0.09 0.00 -0.05 -0.04 0.89 0.72 1of0A1 LEU 387 H -0.08 0.29 -0.06 -0.55 8.37 7.97 1of0A1 LEU 387 HA -0.09 0.43 0.96 -0.75 4.35 4.89 1of0A1 LEU 387 HB2 -0.05 -0.24 -0.10 -0.04 1.64 1.21 1of0A1 LEU 387 HB3 -0.06 0.27 -0.15 -0.04 1.64 1.66 1of0A1 LEU 387 HG -0.10 0.03 -0.27 -0.04 1.64 1.26 1of0A1 LEU 387 HD13 -0.06 -0.02 -0.32 -0.04 0.93 0.49 1of0A1 LEU 387 HD23 -0.12 0.11 -0.26 -0.04 0.89 0.59 1of0A1 LEU 388 H -0.10 0.39 0.15 -0.55 8.37 8.26 1of0A1 LEU 388 HA -0.03 0.09 0.72 -0.75 4.35 4.37 1of0A1 LEU 388 HB2 -0.25 0.07 0.06 -0.04 1.64 1.47 1of0A1 LEU 388 HB3 -0.21 0.01 -0.05 -0.04 1.64 1.35 1of0A1 LEU 388 HG -0.28 -0.04 -0.19 -0.04 1.64 1.08 1of0A1 LEU 388 HD13 -1.48 -0.01 -0.17 -0.04 0.93 -0.77 1of0A1 LEU 388 HD23 -0.19 -0.01 -0.12 -0.04 0.89 0.53 1of0A1 ASN 389 H 0.07 0.81 0.41 -0.55 8.53 9.27 1of0A1 ASN 389 HA 0.06 -0.03 0.41 -0.75 4.76 4.45 1of0A1 ASN 389 HB2 0.16 -0.03 -0.41 -0.04 2.88 2.55 1of0A1 ASN 389 HB3 0.05 0.07 0.25 -0.04 2.79 3.12 1of0A1 ASN 389 HD21 -0.04 0.13 0.13 -0.04 7.03 7.21 1of0A1 ASN 389 HD22 -0.00 0.01 0.06 -0.04 7.74 7.77 1of0A1 ASN 390 H 0.00 0.11 -0.39 -0.55 8.53 7.70 1of0A1 ASN 390 HA -0.02 -0.05 0.13 -0.75 4.76 4.06 1of0A1 ASN 390 HB2 -0.00 0.14 -0.28 -0.04 2.88 2.70 1of0A1 ASN 390 HB3 -0.01 -0.01 0.16 -0.04 2.79 2.89 1of0A1 ASN 390 HD21 0.02 0.01 -0.06 -0.04 7.03 6.96 1of0A1 ASN 390 HD22 0.01 0.04 -0.17 -0.04 7.74 7.58 1of0A1 LYS 391 H -0.02 0.33 -0.63 -0.55 8.42 7.56 1of0A1 LYS 391 HA -0.04 0.11 0.90 -0.75 4.32 4.54 1of0A1 LYS 391 HB2 -0.00 0.09 0.01 -0.04 1.87 1.93 1of0A1 LYS 391 HB3 -0.03 0.06 0.02 -0.04 1.79 1.79 1of0A1 LYS 391 HG2 0.00 0.24 -0.11 -0.04 1.46 1.55 1of0A1 LYS 391 HG3 0.01 -0.05 -0.02 -0.04 1.46 1.36 1of0A1 LYS 391 HD2 -0.02 -0.02 0.03 -0.04 1.69 1.64 1of0A1 LYS 391 HD3 -0.02 0.04 0.00 -0.04 1.68 1.66 1of0A1 LYS 391 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 1of0A1 LYS 391 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.93 1of0A1 ARG 392 H -0.11 0.09 0.16 -0.55 8.46 8.05 1of0A1 ARG 392 HA -0.09 0.26 0.86 -0.75 4.34 4.62 1of0A1 ARG 392 HB2 -0.49 -0.05 0.10 -0.04 1.90 1.41 1of0A1 ARG 392 HB3 -0.36 -0.05 0.13 -0.04 1.80 1.48 1of0A1 ARG 392 HG2 -0.11 0.09 -0.17 -0.04 1.67 1.44 1of0A1 ARG 392 HG3 -0.11 0.02 -0.05 -0.04 1.67 1.49 1of0A1 ARG 392 HD2 -0.04 0.00 -0.05 -0.04 3.22 3.08 1of0A1 ARG 392 HD3 -0.06 -0.02 -0.01 -0.04 3.22 3.09 1of0A1 TRP 393 H 0.12 0.14 0.25 -0.55 7.97 7.93 1of0A1 TRP 393 HA -0.08 0.20 0.55 -0.75 4.62 4.53 1of0A1 TRP 393 HB2 -0.07 0.16 0.22 -0.04 3.23 3.50 1of0A1 TRP 393 HB3 -0.03 -0.10 0.22 -0.04 3.23 3.28 1of0A1 TRP 393 HD1 0.12 -0.04 -0.10 -0.04 7.22 7.16 1of0A1 TRP 393 HE1 0.10 -0.03 -0.08 -0.04 10.20 10.14 1of0A1 TRP 393 HE3 -0.11 0.20 -0.44 -0.04 7.59 7.21 1of0A1 TRP 393 HZ2 -0.37 -0.08 -0.07 -0.04 7.44 6.87 1of0A1 TRP 393 HZ3 -0.15 0.04 -0.41 -0.04 7.13 6.57 1of0A1 TRP 393 HH2 -0.75 -0.02 -0.09 -0.04 7.19 6.29 1of0A1 HIS 394 H -0.12 -0.01 -0.14 -0.55 8.41 7.60 1of0A1 HIS 394 HA -0.27 0.12 0.43 -0.75 4.63 4.15 1of0A1 HIS 394 HB2 0.03 0.01 0.09 -0.04 3.26 3.35 1of0A1 HIS 394 HB3 0.15 -0.03 0.07 -0.04 3.20 3.35 1of0A1 HIS 394 HD2 0.10 0.01 0.02 -0.04 6.97 7.06 1of0A1 HIS 394 HE1 0.01 -0.00 -0.04 -0.04 7.75 7.68 1of0A1 ASP 395 H -0.20 0.20 -0.40 -0.55 8.40 7.45 1of0A1 ASP 395 HA 0.10 -0.00 0.40 -0.75 4.63 4.38 1of0A1 ASP 395 HB2 -0.07 0.14 0.07 -0.04 2.71 2.82 1of0A1 ASP 395 HB3 -0.01 0.06 0.11 -0.04 2.70 2.81 1of0A1 PRO 396 HA -0.04 -0.02 0.45 -0.51 4.44 4.33 1of0A1 PRO 396 HB2 -0.01 0.04 0.05 -0.04 2.28 2.31 1of0A1 PRO 396 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.06 1of0A1 PRO 396 HG2 0.00 -0.00 0.09 -0.04 2.03 2.08 1of0A1 PRO 396 HG3 0.00 0.03 0.11 -0.04 2.03 2.13 1of0A1 PRO 396 HD2 0.00 0.08 0.19 -0.04 3.68 3.91 1of0A1 PRO 396 HD3 0.03 0.07 0.24 -0.04 3.65 3.95 1of0A1 VAL 397 H -0.05 0.02 0.16 -0.55 8.24 7.82 1of0A1 VAL 397 HA -0.04 0.10 0.36 -0.75 4.13 3.79 1of0A1 VAL 397 HB -0.05 0.02 0.07 -0.04 2.12 2.13 1of0A1 VAL 397 HG13 -0.01 -0.01 -0.06 -0.04 0.97 0.84 1of0A1 VAL 397 HG23 0.03 0.01 -0.22 -0.04 0.95 0.73 1of0A1 THR 398 H 0.03 0.02 0.19 -0.55 8.28 7.97 1of0A1 THR 398 HA -0.02 0.21 0.89 -0.75 4.39 4.71 1of0A1 THR 398 HB -0.04 -0.05 0.03 -0.04 4.32 4.22 1of0A1 THR 398 HG23 -0.02 0.07 -0.12 -0.04 1.22 1.11 1of0A1 GLU 399 H 0.06 0.09 0.12 -0.55 8.60 8.32 1of0A1 GLU 399 HA -0.18 0.10 0.68 -0.75 4.29 4.14 1of0A1 GLU 399 HB2 0.16 0.11 0.24 -0.04 2.09 2.56 1of0A1 GLU 399 HB3 -0.10 0.00 0.03 -0.04 1.99 1.88 1of0A1 GLU 399 HG2 -0.77 0.01 -0.06 -0.04 2.34 1.48 1of0A1 GLU 399 HG3 -0.68 -0.00 -0.07 -0.04 2.34 1.55 1of0A1 THR 400 H -0.09 0.26 -0.04 -0.55 8.28 7.85 1of0A1 THR 400 HA -0.03 0.43 1.09 -0.75 4.39 5.12 1of0A1 THR 400 HB -0.02 -0.01 0.06 -0.04 4.32 4.31 1of0A1 THR 400 HG23 -0.01 -0.04 -0.37 -0.04 1.22 0.76 1of0A1 PRO 401 HA -0.13 0.03 0.46 -0.51 4.44 4.30 1of0A1 PRO 401 HB2 -0.55 0.09 -0.09 -0.04 2.28 1.69 1of0A1 PRO 401 HB3 -0.64 -0.03 -0.04 -0.04 2.02 1.26 1of0A1 PRO 401 HG2 -0.35 -0.00 -0.12 -0.04 2.03 1.51 1of0A1 PRO 401 HG3 -1.30 0.02 -0.14 -0.04 2.03 0.56 1of0A1 PRO 401 HD2 -0.10 0.31 -0.13 -0.04 3.68 3.71 1of0A1 PRO 401 HD3 -0.19 -0.02 -0.31 -0.04 3.65 3.09 1of0A1 LYS 402 H -0.02 0.08 0.13 -0.55 8.42 8.06 1of0A1 LYS 402 HA 0.01 0.17 0.84 -0.75 4.32 4.58 1of0A1 LYS 402 HB2 0.02 -0.09 0.12 -0.04 1.87 1.87 1of0A1 LYS 402 HB3 0.02 0.13 0.02 -0.04 1.79 1.92 1of0A1 LYS 402 HG2 0.00 0.02 -0.06 -0.04 1.46 1.38 1of0A1 LYS 402 HG3 -0.01 -0.02 -0.04 -0.04 1.46 1.35 1of0A1 LYS 402 HD2 0.01 -0.04 0.00 -0.04 1.69 1.62 1of0A1 LYS 402 HD3 0.01 0.03 -0.02 -0.04 1.68 1.67 1of0A1 LYS 402 HE2 -0.00 0.00 -0.03 -0.04 2.99 2.92 1of0A1 LYS 402 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 1of0A1 VAL 403 H 0.05 0.84 0.22 -0.55 8.24 8.80 1of0A1 VAL 403 HA 0.10 0.14 0.30 -0.75 4.13 3.91 1of0A1 VAL 403 HB 0.07 0.00 -0.09 -0.04 2.12 2.07 1of0A1 VAL 403 HG13 0.04 -0.01 -0.02 -0.04 0.97 0.94 1of0A1 VAL 403 HG23 0.06 0.00 -0.18 -0.04 0.95 0.79 1of0A1 GLY 404 H 0.06 0.74 0.35 -0.55 8.43 9.03 1of0A1 GLY 404 HA2 0.01 -0.06 0.30 -0.51 4.01 3.75 1of0A1 GLY 404 HA3 0.02 0.03 0.45 -0.51 4.01 3.99 1of0A1 THR 405 H 0.09 0.54 -0.28 -0.55 8.28 8.09 1of0A1 THR 405 HA 0.05 0.16 0.95 -0.75 4.39 4.80 1of0A1 THR 405 HB 0.07 -0.10 0.15 -0.04 4.32 4.40 1of0A1 THR 405 HG23 0.04 0.05 -0.09 -0.04 1.22 1.18 1of0A1 THR 406 H 0.08 0.20 0.29 -0.55 8.28 8.29 1of0A1 THR 406 HA 0.13 0.37 1.19 -0.75 4.39 5.32 1of0A1 THR 406 HB 0.06 0.14 0.04 -0.04 4.32 4.51 1of0A1 THR 406 HG23 0.05 -0.01 -0.28 -0.04 1.22 0.95 1of0A1 GLU 407 H 0.20 0.57 0.41 -0.55 8.60 9.24 1of0A1 GLU 407 HA 0.15 0.18 1.09 -0.75 4.29 4.96 1of0A1 GLU 407 HB2 0.56 -0.02 -0.08 -0.04 2.09 2.51 1of0A1 GLU 407 HB3 0.29 0.01 -0.05 -0.04 1.99 2.20 1of0A1 GLU 407 HG2 0.15 0.00 -0.28 -0.04 2.34 2.17 1of0A1 GLU 407 HG3 0.33 0.04 -0.24 -0.04 2.34 2.43 1of0A1 ILE 408 H 0.17 0.51 0.40 -0.55 8.25 8.78 1of0A1 ILE 408 HA 0.11 0.38 1.15 -0.75 4.18 5.07 1of0A1 ILE 408 HB 0.08 -0.04 0.21 -0.04 1.89 2.10 1of0A1 ILE 408 HG12 0.06 0.07 -0.05 -0.04 1.49 1.52 1of0A1 ILE 408 HG13 0.07 -0.06 -0.18 -0.04 1.21 1.00 1of0A1 ILE 408 HG23 0.06 -0.01 -0.21 -0.04 0.93 0.74 1of0A1 ILE 408 HD13 0.04 -0.01 -0.06 -0.04 0.88 0.81 1of0A1 TRP 409 H 0.20 0.57 0.29 -0.55 7.97 8.48 1of0A1 TRP 409 HA -0.10 0.20 1.03 -0.75 4.62 5.00 1of0A1 TRP 409 HB2 -0.19 -0.02 0.09 -0.04 3.23 3.07 1of0A1 TRP 409 HB3 -0.21 0.02 -0.09 -0.04 3.23 2.91 1of0A1 TRP 409 HD1 -0.03 -0.11 -0.64 -0.04 7.22 6.39 1of0A1 TRP 409 HE1 -0.09 -0.01 -0.17 -0.04 10.20 9.88 1of0A1 TRP 409 HE3 -0.56 -0.01 -0.16 -0.04 7.59 6.82 1of0A1 TRP 409 HZ2 -0.39 0.01 -0.14 -0.04 7.44 6.88 1of0A1 TRP 409 HZ3 -2.05 -0.00 -0.14 -0.04 7.13 4.90 1of0A1 TRP 409 HH2 -0.92 0.03 -0.11 -0.04 7.19 6.15 1of0A1 SER 410 H -0.01 0.83 0.36 -0.55 8.46 9.10 1of0A1 SER 410 HA 0.05 0.25 0.93 -0.75 4.49 4.96 1of0A1 SER 410 HB2 -0.02 -0.04 0.20 -0.04 3.95 4.05 1of0A1 SER 410 HB3 0.01 -0.02 -0.05 -0.04 3.93 3.83 1of0A1 ILE 411 H 0.06 0.85 0.31 -0.55 8.25 8.93 1of0A1 ILE 411 HA 0.05 0.25 0.92 -0.75 4.18 4.65 1of0A1 ILE 411 HB 0.11 -0.05 0.20 -0.04 1.89 2.10 1of0A1 ILE 411 HG12 0.16 -0.02 -0.19 -0.04 1.49 1.41 1of0A1 ILE 411 HG13 0.12 0.04 -0.23 -0.04 1.21 1.11 1of0A1 ILE 411 HG23 0.18 -0.01 -0.19 -0.04 0.93 0.87 1of0A1 ILE 411 HD13 0.18 -0.01 -0.12 -0.04 0.88 0.88 1of0A1 ILE 412 H -0.01 0.96 0.49 -0.55 8.25 9.14 1of0A1 ILE 412 HA -0.13 0.14 0.81 -0.75 4.18 4.25 1of0A1 ILE 412 HB -0.18 -0.06 0.15 -0.04 1.89 1.75 1of0A1 ILE 412 HG12 -0.34 -0.02 -0.14 -0.04 1.49 0.95 1of0A1 ILE 412 HG13 -0.14 0.09 -0.12 -0.04 1.21 1.00 1of0A1 ILE 412 HG23 -1.05 -0.01 -0.20 -0.04 0.93 -0.37 1of0A1 ILE 412 HD13 -0.26 -0.01 -0.12 -0.04 0.88 0.44 1of0A1 ASN 413 H 0.22 0.57 0.26 -0.55 8.53 9.03 1of0A1 ASN 413 HA 0.15 0.17 1.19 -0.75 4.76 5.52 1of0A1 ASN 413 HB2 0.19 -0.01 -0.06 -0.04 2.88 2.95 1of0A1 ASN 413 HB3 0.22 0.16 0.25 -0.04 2.79 3.38 1of0A1 ASN 413 HD21 0.30 0.36 0.01 -0.04 7.03 7.65 1of0A1 ASN 413 HD22 0.23 0.26 -0.36 -0.04 7.74 7.84 1of0A1 PRO 414 HA 0.19 0.05 0.69 -0.51 4.44 4.85 1of0A1 PRO 414 HB2 0.26 0.01 0.10 -0.04 2.28 2.60 1of0A1 PRO 414 HB3 0.39 -0.02 0.01 -0.04 2.02 2.36 1of0A1 PRO 414 HG2 0.17 0.10 0.00 -0.04 2.03 2.26 1of0A1 PRO 414 HG3 0.28 0.01 -0.01 -0.04 2.03 2.26 1of0A1 PRO 414 HD2 0.14 0.31 0.38 -0.04 3.68 4.47 1of0A1 PRO 414 HD3 0.09 0.06 -0.18 -0.04 3.65 3.58 1of0A1 THR 415 H 0.17 0.08 -0.17 -0.55 8.28 7.81 1of0A1 THR 415 HA 0.10 0.13 0.60 -0.75 4.39 4.47 1of0A1 THR 415 HB 0.16 -0.07 0.12 -0.04 4.32 4.49 1of0A1 THR 415 HG23 0.13 0.04 0.03 -0.04 1.22 1.38 1of0A1 ARG 416 H 0.07 0.15 0.13 -0.55 8.46 8.26 1of0A1 ARG 416 HA 0.04 0.16 0.63 -0.75 4.34 4.41 1of0A1 ARG 416 HB2 0.02 -0.00 0.17 -0.04 1.90 2.05 1of0A1 ARG 416 HB3 0.03 0.02 0.08 -0.04 1.80 1.89 1of0A1 ARG 416 HG2 0.04 -0.02 0.07 -0.04 1.67 1.72 1of0A1 ARG 416 HG3 0.03 0.01 -0.16 -0.04 1.67 1.52 1of0A1 ARG 416 HD2 0.02 0.01 -0.01 -0.04 3.22 3.20 1of0A1 ARG 416 HD3 0.02 -0.01 0.01 -0.04 3.22 3.19 1of0A1 GLY 417 H 0.07 0.13 -0.36 -0.55 8.43 7.74 1of0A1 GLY 417 HA2 0.01 0.16 0.88 -0.51 4.01 4.55 1of0A1 GLY 417 HA3 -0.03 0.04 0.23 -0.51 4.01 3.74 1of0A1 THR 418 H 0.00 0.09 0.12 -0.55 8.28 7.95 1of0A1 THR 418 HA 0.10 0.30 0.60 -0.75 4.39 4.64 1of0A1 THR 418 HB 0.08 -0.01 0.04 -0.04 4.32 4.39 1of0A1 THR 418 HG23 0.11 -0.01 -0.39 -0.04 1.22 0.89 1of0A1 HIS 419 H 0.18 0.50 0.19 -0.55 8.41 8.74 1of0A1 HIS 419 HA 0.16 0.22 0.90 -0.75 4.63 5.16 1of0A1 HIS 419 HB2 0.16 0.03 0.15 -0.04 3.26 3.56 1of0A1 HIS 419 HB3 0.19 -0.02 -0.07 -0.04 3.20 3.25 1of0A1 HIS 419 HD2 0.13 0.08 -0.07 -0.04 6.97 7.07 1of0A1 HIS 419 HE1 -0.01 -0.00 -0.05 -0.04 7.75 7.65 1of0A1 PRO 420 HA 0.20 0.16 0.43 -0.51 4.44 4.72 1of0A1 PRO 420 HB2 0.23 0.18 -0.02 -0.04 2.28 2.63 1of0A1 PRO 420 HB3 0.16 -0.04 -0.04 -0.04 2.02 2.05 1of0A1 PRO 420 HG2 0.27 -0.31 0.16 -0.04 2.03 2.11 1of0A1 PRO 420 HG3 0.17 0.17 -0.02 -0.04 2.03 2.31 1of0A1 PRO 420 HD2 0.22 0.06 0.20 -0.04 3.68 4.12 1of0A1 PRO 420 HD3 0.12 0.17 0.02 -0.04 3.65 3.92 1of0A1 ILE 421 H 0.25 0.65 0.37 -0.55 8.25 8.97 1of0A1 ILE 421 HA 0.31 0.12 0.67 -0.75 4.18 4.53 1of0A1 ILE 421 HB 0.27 0.00 0.09 -0.04 1.89 2.21 1of0A1 ILE 421 HG12 0.27 0.15 0.01 -0.04 1.49 1.87 1of0A1 ILE 421 HG13 0.31 -0.03 -0.07 -0.04 1.21 1.38 1of0A1 ILE 421 HG23 0.49 -0.01 -0.25 -0.04 0.93 1.12 1of0A1 ILE 421 HD13 0.26 -0.02 -0.26 -0.04 0.88 0.83 1of0A1 HIS 422 H 0.29 0.72 0.38 -0.55 8.41 9.26 1of0A1 HIS 422 HA 0.32 0.38 1.13 -0.75 4.63 5.70 1of0A1 HIS 422 HB2 0.34 -0.05 -0.07 -0.04 3.26 3.45 1of0A1 HIS 422 HB3 0.06 0.03 0.06 -0.04 3.20 3.31 1of0A1 HIS 422 HD2 0.21 -0.05 -0.20 -0.04 6.97 6.88 1of0A1 HIS 422 HE1 -0.18 -0.03 -0.07 -0.04 7.75 7.43 1of0A1 LEU 423 H 0.13 0.53 0.27 -0.55 8.37 8.75 1of0A1 LEU 423 HA 0.10 0.07 1.05 -0.75 4.35 4.81 1of0A1 LEU 423 HB2 0.07 0.02 0.06 -0.04 1.64 1.75 1of0A1 LEU 423 HB3 -0.07 0.10 -0.03 -0.04 1.64 1.60 1of0A1 LEU 423 HG -0.19 -0.00 -0.04 -0.04 1.64 1.36 1of0A1 LEU 423 HD13 -0.07 -0.01 -0.36 -0.04 0.93 0.45 1of0A1 LEU 423 HD23 -1.16 -0.01 -0.14 -0.04 0.89 -0.46 1of0A1 HIS 424 H 0.18 0.44 0.31 -0.55 8.41 8.80 1of0A1 HIS 424 HA -0.04 0.11 0.56 -0.75 4.63 4.51 1of0A1 HIS 424 HB2 0.15 -0.03 0.21 -0.04 3.26 3.54 1of0A1 HIS 424 HB3 0.16 -0.03 0.14 -0.04 3.20 3.42 1of0A1 HIS 424 HD2 -0.29 -0.05 -0.27 -0.04 6.97 6.31 1of0A1 HIS 424 HE1 -0.96 0.09 -0.12 -0.04 7.75 6.72 1of0A1 LEU 425 H 0.08 0.15 0.14 -0.55 8.37 8.20 1of0A1 LEU 425 HA -0.03 0.09 0.50 -0.75 4.35 4.15 1of0A1 LEU 425 HB2 -0.89 -0.07 -0.10 -0.04 1.64 0.55 1of0A1 LEU 425 HB3 -0.35 0.13 0.03 -0.04 1.64 1.40 1of0A1 LEU 425 HG -0.16 0.14 -0.33 -0.04 1.64 1.25 1of0A1 LEU 425 HD13 0.06 -0.02 -0.02 -0.04 0.93 0.91 1of0A1 LEU 425 HD23 -0.22 -0.06 -0.15 -0.04 0.89 0.41 1of0A1 VAL 426 H -0.12 0.61 0.13 -0.55 8.24 8.31 1of0A1 VAL 426 HA -0.17 0.18 0.74 -0.75 4.13 4.13 1of0A1 VAL 426 HB -0.32 0.04 0.09 -0.04 2.12 1.88 1of0A1 VAL 426 HG13 -0.40 0.00 0.02 -0.04 0.97 0.55 1of0A1 VAL 426 HG23 -0.29 0.01 -0.26 -0.04 0.95 0.37 1of0A1 SER 427 H -0.19 0.22 0.26 -0.55 8.46 8.20 1of0A1 SER 427 HA -0.13 0.18 0.70 -0.75 4.49 4.49 1of0A1 SER 427 HB2 -0.23 0.06 -0.02 -0.04 3.95 3.72 1of0A1 SER 427 HB3 -0.40 -0.05 0.07 -0.04 3.93 3.52 1of0A1 PHE 428 H -0.36 0.70 0.37 -0.55 8.34 8.50 1of0A1 PHE 428 HA 0.21 0.17 1.01 -0.75 4.62 5.25 1of0A1 PHE 428 HB2 -0.07 0.07 -0.02 -0.04 3.15 3.09 1of0A1 PHE 428 HB3 -0.18 -0.04 -0.26 -0.04 3.06 2.53 1of0A1 PHE 428 HD2 -0.08 0.05 -0.41 -0.04 7.28 6.81 1of0A1 PHE 428 HE2 0.03 0.01 -0.21 -0.04 7.38 7.17 1of0A1 PHE 428 HZ 0.10 -0.01 -0.39 -0.04 7.32 6.97 1of0A1 ARG 429 H 0.23 0.61 0.41 -0.55 8.46 9.16 1of0A1 ARG 429 HA -0.08 0.27 0.93 -0.75 4.34 4.71 1of0A1 ARG 429 HB2 -0.02 -0.07 0.12 -0.04 1.90 1.89 1of0A1 ARG 429 HB3 -0.13 0.09 0.04 -0.04 1.80 1.75 1of0A1 ARG 429 HG2 -0.78 0.12 -0.02 -0.04 1.67 0.95 1of0A1 ARG 429 HG3 -0.46 -0.08 -0.08 -0.04 1.67 1.01 1of0A1 ARG 429 HD2 -0.36 0.03 -0.13 -0.04 3.22 2.71 1of0A1 ARG 429 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.06 1of0A1 VAL 430 H -0.01 0.34 0.24 -0.55 8.24 8.26 1of0A1 VAL 430 HA 0.10 0.10 0.95 -0.75 4.13 4.53 1of0A1 VAL 430 HB 0.03 0.18 0.21 -0.04 2.12 2.50 1of0A1 VAL 430 HG13 0.07 -0.02 -0.05 -0.04 0.97 0.93 1of0A1 VAL 430 HG23 0.15 -0.02 -0.02 -0.04 0.95 1.02 1of0A1 LEU 431 H 0.03 0.61 0.38 -0.55 8.37 8.85 1of0A1 LEU 431 HA 0.00 0.16 0.84 -0.75 4.35 4.59 1of0A1 LEU 431 HB2 0.02 -0.01 0.06 -0.04 1.64 1.67 1of0A1 LEU 431 HB3 0.01 -0.04 -0.03 -0.04 1.64 1.54 1of0A1 LEU 431 HG 0.02 -0.03 -0.27 -0.04 1.64 1.33 1of0A1 LEU 431 HD13 0.03 -0.01 -0.18 -0.04 0.93 0.72 1of0A1 LEU 431 HD23 0.00 0.02 -0.17 -0.04 0.89 0.71 1of0A1 ASP 432 H 0.02 0.27 0.34 -0.55 8.40 8.49 1of0A1 ASP 432 HA 0.02 0.18 0.40 -0.75 4.63 4.47 1of0A1 ASP 432 HB2 -0.01 -0.08 -0.05 -0.04 2.71 2.53 1of0A1 ASP 432 HB3 -0.00 0.21 -0.01 -0.04 2.70 2.85 1of0A1 ARG 433 H 0.02 0.56 0.37 -0.55 8.46 8.85 1of0A1 ARG 433 HA 0.05 0.34 1.02 -0.75 4.34 4.99 1of0A1 ARG 433 HB2 0.08 0.05 0.10 -0.04 1.90 2.09 1of0A1 ARG 433 HB3 0.11 -0.04 -0.00 -0.04 1.80 1.83 1of0A1 ARG 433 HG2 0.07 0.01 0.01 -0.04 1.67 1.72 1of0A1 ARG 433 HG3 0.07 -0.02 -0.24 -0.04 1.67 1.45 1of0A1 ARG 433 HD2 0.17 0.01 -0.04 -0.04 3.22 3.32 1of0A1 ARG 433 HD3 0.21 -0.05 -0.03 -0.04 3.22 3.32 1of0A1 ARG 434 H 0.07 0.29 0.27 -0.55 8.46 8.53 1of0A1 ARG 434 HA -0.00 0.27 0.77 -0.75 4.34 4.63 1of0A1 ARG 434 HB2 -0.22 -0.06 -0.26 -0.04 1.90 1.31 1of0A1 ARG 434 HB3 -0.33 -0.08 0.01 -0.04 1.80 1.35 1of0A1 ARG 434 HG2 -0.22 0.04 -0.13 -0.04 1.67 1.32 1of0A1 ARG 434 HG3 -0.14 0.27 -0.23 -0.04 1.67 1.53 1of0A1 ARG 434 HD2 -0.40 -0.11 -0.14 -0.04 3.22 2.53 1of0A1 ARG 434 HD3 -1.62 -0.08 -0.09 -0.04 3.22 1.39 1of0A1 PRO 435 HA 0.16 0.37 0.84 -0.51 4.44 5.30 1of0A1 PRO 435 HB2 0.04 0.01 0.03 -0.04 2.28 2.32 1of0A1 PRO 435 HB3 0.05 0.04 0.10 -0.04 2.02 2.17 1of0A1 PRO 435 HG2 0.09 -0.15 -0.17 -0.04 2.03 1.77 1of0A1 PRO 435 HG3 0.05 0.07 -0.04 -0.04 2.03 2.06 1of0A1 PRO 435 HD2 0.03 0.27 0.11 -0.04 3.68 4.05 1of0A1 PRO 435 HD3 0.05 0.13 0.09 -0.04 3.65 3.88 1of0A1 PHE 436 H -0.15 0.56 0.25 -0.55 8.34 8.45 1of0A1 PHE 436 HA 0.11 0.10 0.82 -0.75 4.62 4.90 1of0A1 PHE 436 HB2 -0.04 -0.09 -0.17 -0.04 3.15 2.81 1of0A1 PHE 436 HB3 0.15 0.05 -0.40 -0.04 3.06 2.82 1of0A1 PHE 436 HD2 0.04 0.07 -0.42 -0.04 7.28 6.93 1of0A1 PHE 436 HE2 -0.05 0.10 -0.23 -0.04 7.38 7.16 1of0A1 PHE 436 HZ -0.11 -0.05 -0.59 -0.04 7.32 6.53 1of0A1 ASP 437 H 0.20 0.56 0.22 -0.55 8.40 8.84 1of0A1 ASP 437 HA -0.01 0.07 0.57 -0.75 4.63 4.50 1of0A1 ASP 437 HB2 0.08 0.16 0.16 -0.04 2.71 3.07 1of0A1 ASP 437 HB3 0.12 -0.05 0.26 -0.04 2.70 2.99 1of0A1 ILE 438 H -0.14 0.27 0.30 -0.55 8.25 8.12 1of0A1 ILE 438 HA 0.11 0.10 0.39 -0.75 4.18 4.03 1of0A1 ILE 438 HB -0.05 -0.07 0.18 -0.04 1.89 1.91 1of0A1 ILE 438 HG12 -0.54 -0.01 0.10 -0.04 1.49 1.00 1of0A1 ILE 438 HG13 -0.39 0.11 0.22 -0.04 1.21 1.11 1of0A1 ILE 438 HG23 0.07 0.01 -0.01 -0.04 0.93 0.95 1of0A1 ILE 438 HD13 -0.12 0.03 0.04 -0.04 0.88 0.80 1of0A1 ALA 439 H 0.03 0.10 -0.00 -0.55 8.40 7.98 1of0A1 ALA 439 HA 0.05 0.13 0.38 -0.75 4.34 4.15 1of0A1 ALA 439 HB3 0.03 0.01 0.07 -0.04 1.41 1.48 1of0A1 ARG 440 H 0.08 0.03 -0.30 -0.55 8.46 7.72 1of0A1 ARG 440 HA 0.05 0.04 0.39 -0.75 4.34 4.07 1of0A1 ARG 440 HB2 0.06 -0.04 0.09 -0.04 1.90 1.97 1of0A1 ARG 440 HB3 0.13 0.11 0.16 -0.04 1.80 2.15 1of0A1 ARG 440 HG2 0.06 -0.03 -0.06 -0.04 1.67 1.61 1of0A1 ARG 440 HG3 0.08 0.21 -0.25 -0.04 1.67 1.67 1of0A1 ARG 440 HD2 0.03 -0.05 0.03 -0.04 3.22 3.18 1of0A1 ARG 440 HD3 0.03 -0.02 -0.00 -0.04 3.22 3.19 1of0A1 TYR 441 H 0.29 0.49 -0.06 -0.55 8.29 8.46 1of0A1 TYR 441 HA 0.04 0.07 0.23 -0.75 4.56 4.14 1of0A1 TYR 441 HB2 0.23 -0.01 0.02 -0.04 3.06 3.26 1of0A1 TYR 441 HB3 0.28 0.08 0.06 -0.04 2.98 3.36 1of0A1 TYR 441 HD2 0.02 0.00 -0.43 -0.04 7.15 6.70 1of0A1 TYR 441 HE2 -0.05 0.02 -0.12 -0.04 6.85 6.66 1of0A1 GLN 442 H 0.17 0.56 -0.21 -0.55 8.47 8.44 1of0A1 GLN 442 HA -0.01 0.06 0.47 -0.75 4.36 4.12 1of0A1 GLN 442 HB2 0.07 0.03 0.12 -0.04 2.15 2.33 1of0A1 GLN 442 HB3 0.05 -0.04 0.04 -0.04 2.02 2.03 1of0A1 GLN 442 HG2 0.22 0.18 0.08 -0.04 2.40 2.84 1of0A1 GLN 442 HG3 0.11 -0.06 -0.02 -0.04 2.39 2.39 1of0A1 GLN 442 HE21 0.10 -0.01 -0.00 -0.04 6.97 7.01 1of0A1 GLN 442 HE22 0.08 -0.01 0.01 -0.04 7.69 7.72 1of0A1 GLU 443 H 0.02 0.42 -0.13 -0.55 8.60 8.35 1of0A1 GLU 443 HA -0.02 0.12 0.74 -0.75 4.29 4.38 1of0A1 GLU 443 HB2 0.01 -0.05 0.08 -0.04 2.09 2.09 1of0A1 GLU 443 HB3 0.01 0.04 0.18 -0.04 1.99 2.18 1of0A1 GLU 443 HG2 0.00 -0.08 -0.02 -0.04 2.34 2.21 1of0A1 GLU 443 HG3 -0.01 0.00 -0.21 -0.04 2.34 2.08 1of0A1 SER 444 H -0.04 0.69 0.17 -0.55 8.46 8.74 1of0A1 SER 444 HA -0.05 0.24 0.99 -0.75 4.49 4.91 1of0A1 SER 444 HB2 -0.03 -0.02 0.10 -0.04 3.95 3.95 1of0A1 SER 444 HB3 -0.02 -0.03 -0.01 -0.04 3.93 3.84 1of0A1 GLY 445 H -0.21 0.41 -0.00 -0.55 8.43 8.08 1of0A1 GLY 445 HA2 -0.69 0.16 0.36 -0.51 4.01 3.33 1of0A1 GLY 445 HA3 -0.25 0.06 0.50 -0.51 4.01 3.81 1of0A1 GLU 446 H -0.07 -0.03 -0.60 -0.55 8.60 7.36 1of0A1 GLU 446 HA -0.01 0.13 0.59 -0.75 4.29 4.25 1of0A1 GLU 446 HB2 0.00 -0.07 -0.07 -0.04 2.09 1.92 1of0A1 GLU 446 HB3 0.00 0.01 -0.15 -0.04 1.99 1.81 1of0A1 GLU 446 HG2 -0.02 0.03 -0.08 -0.04 2.34 2.22 1of0A1 GLU 446 HG3 -0.03 0.15 -0.15 -0.04 2.34 2.26 1of0A1 LEU 447 H 0.01 0.20 0.10 -0.55 8.37 8.12 1of0A1 LEU 447 HA 0.05 0.08 0.64 -0.75 4.35 4.36 1of0A1 LEU 447 HB2 -0.07 0.08 -0.02 -0.04 1.64 1.58 1of0A1 LEU 447 HB3 -0.19 -0.00 0.12 -0.04 1.64 1.52 1of0A1 LEU 447 HG -0.75 -0.04 -0.30 -0.04 1.64 0.51 1of0A1 LEU 447 HD13 -0.89 0.00 -0.17 -0.04 0.93 -0.17 1of0A1 LEU 447 HD23 -0.28 0.01 -0.11 -0.04 0.89 0.47 1of0A1 SER 448 H 0.05 0.18 0.09 -0.55 8.46 8.24 1of0A1 SER 448 HA -0.10 0.20 0.95 -0.75 4.49 4.78 1of0A1 SER 448 HB2 0.02 0.03 -0.15 -0.04 3.95 3.80 1of0A1 SER 448 HB3 0.06 -0.11 0.13 -0.04 3.93 3.98 1of0A1 TYR 449 H -0.13 0.16 0.07 -0.55 8.29 7.84 1of0A1 TYR 449 HA 0.15 0.20 0.65 -0.75 4.56 4.80 1of0A1 TYR 449 HB2 0.05 -0.07 0.12 -0.04 3.06 3.12 1of0A1 TYR 449 HB3 0.07 0.21 0.10 -0.04 2.98 3.31 1of0A1 TYR 449 HD2 0.09 0.09 -0.15 -0.04 7.15 7.14 1of0A1 TYR 449 HE2 -0.01 -0.00 -0.12 -0.04 6.85 6.68 1of0A1 THR 450 H 0.22 0.59 0.09 -0.55 8.28 8.63 1of0A1 THR 450 HA 0.09 0.16 0.84 -0.75 4.39 4.73 1of0A1 THR 450 HB 0.05 -0.02 0.15 -0.04 4.32 4.45 1of0A1 THR 450 HG23 0.07 -0.01 -0.15 -0.04 1.22 1.09 1of0A1 GLY 451 H 0.12 0.26 -0.17 -0.55 8.43 8.09 1of0A1 GLY 451 HA2 0.04 0.01 0.34 -0.51 4.01 3.88 1of0A1 GLY 451 HA3 0.04 0.12 0.47 -0.51 4.01 4.13 1of0A1 PRO 452 HA -0.03 0.04 0.53 -0.51 4.44 4.48 1of0A1 PRO 452 HB2 -0.01 0.14 0.11 -0.04 2.28 2.48 1of0A1 PRO 452 HB3 0.00 -0.04 0.12 -0.04 2.02 2.07 1of0A1 PRO 452 HG2 0.00 0.10 -0.03 -0.04 2.03 2.06 1of0A1 PRO 452 HG3 0.01 0.01 0.06 -0.04 2.03 2.07 1of0A1 PRO 452 HD2 0.02 0.11 0.21 -0.04 3.68 3.98 1of0A1 PRO 452 HD3 0.02 0.08 0.16 -0.04 3.65 3.87 1of0A1 ALA 453 H -0.06 0.04 0.17 -0.55 8.40 8.01 1of0A1 ALA 453 HA -0.09 0.18 0.58 -0.75 4.34 4.26 1of0A1 ALA 453 HB3 -0.07 -0.02 0.03 -0.04 1.41 1.31 1of0A1 VAL 454 H -0.01 0.77 0.42 -0.55 8.24 8.87 1of0A1 VAL 454 HA 0.01 0.18 0.98 -0.75 4.13 4.54 1of0A1 VAL 454 HB 0.04 -0.05 0.22 -0.04 2.12 2.29 1of0A1 VAL 454 HG13 0.03 0.03 -0.08 -0.04 0.97 0.92 1of0A1 VAL 454 HG23 0.02 0.02 -0.07 -0.04 0.95 0.88 1of0A1 PRO 455 HA 0.01 0.24 0.60 -0.51 4.44 4.77 1of0A1 PRO 455 HB2 0.01 0.12 0.08 -0.04 2.28 2.44 1of0A1 PRO 455 HB3 0.00 -0.01 0.15 -0.04 2.02 2.12 1of0A1 PRO 455 HG2 0.01 0.02 0.03 -0.04 2.03 2.05 1of0A1 PRO 455 HG3 0.01 -0.02 0.08 -0.04 2.03 2.06 1of0A1 PRO 455 HD2 0.01 0.05 0.27 -0.04 3.68 3.96 1of0A1 PRO 455 HD3 0.00 0.15 0.13 -0.04 3.65 3.90 1of0A1 PRO 456 HA 0.05 0.05 0.46 -0.51 4.44 4.49 1of0A1 PRO 456 HB2 0.02 -0.00 -0.06 -0.04 2.28 2.19 1of0A1 PRO 456 HB3 0.04 -0.07 0.03 -0.04 2.02 1.98 1of0A1 PRO 456 HG2 0.00 -0.04 -0.04 -0.04 2.03 1.91 1of0A1 PRO 456 HG3 0.00 0.26 0.03 -0.04 2.03 2.27 1of0A1 PRO 456 HD2 0.01 0.08 0.20 -0.04 3.68 3.92 1of0A1 PRO 456 HD3 0.02 0.10 -0.23 -0.04 3.65 3.50 1of0A1 PRO 457 HA 0.03 0.19 0.56 -0.51 4.44 4.72 1of0A1 PRO 457 HB2 0.06 -0.03 0.13 -0.04 2.28 2.39 1of0A1 PRO 457 HB3 0.06 0.08 0.13 -0.04 2.02 2.24 1of0A1 PRO 457 HG2 0.07 -0.18 0.04 -0.04 2.03 1.91 1of0A1 PRO 457 HG3 0.09 0.06 0.08 -0.04 2.03 2.22 1of0A1 PRO 457 HD2 0.06 0.07 0.22 -0.04 3.68 3.99 1of0A1 PRO 457 HD3 0.07 0.21 0.16 -0.04 3.65 4.05 1of0A1 PRO 458 HA -0.00 0.10 0.37 -0.51 4.44 4.40 1of0A1 PRO 458 HB2 0.01 -0.02 0.06 -0.04 2.28 2.30 1of0A1 PRO 458 HB3 0.00 0.10 0.08 -0.04 2.02 2.16 1of0A1 PRO 458 HG2 0.02 0.04 0.11 -0.04 2.03 2.16 1of0A1 PRO 458 HG3 0.02 0.07 0.11 -0.04 2.03 2.19 1of0A1 PRO 458 HD2 0.04 0.07 0.22 -0.04 3.68 3.96 1of0A1 PRO 458 HD3 0.03 0.17 0.23 -0.04 3.65 4.04 1of0A1 SER 459 H 0.02 0.04 -0.39 -0.55 8.46 7.59 1of0A1 SER 459 HA -0.09 0.09 0.38 -0.75 4.49 4.12 1of0A1 SER 459 HB2 0.08 -0.03 0.05 -0.04 3.95 4.01 1of0A1 SER 459 HB3 0.03 0.03 -0.00 -0.04 3.93 3.94 1of0A1 GLU 460 H 0.00 0.44 -0.22 -0.55 8.60 8.28 1of0A1 GLU 460 HA -0.05 0.14 0.85 -0.75 4.29 4.48 1of0A1 GLU 460 HB2 0.03 0.05 0.11 -0.04 2.09 2.24 1of0A1 GLU 460 HB3 0.03 -0.02 0.19 -0.04 1.99 2.15 1of0A1 GLU 460 HG2 0.05 0.03 -0.06 -0.04 2.34 2.32 1of0A1 GLU 460 HG3 0.06 -0.10 -0.10 -0.04 2.34 2.17 1of0A1 LYS 461 H -0.07 0.38 -0.38 -0.55 8.42 7.79 1of0A1 LYS 461 HA -0.09 0.19 0.80 -0.75 4.32 4.48 1of0A1 LYS 461 HB2 -0.06 0.11 0.10 -0.04 1.87 1.98 1of0A1 LYS 461 HB3 -0.03 -0.08 0.20 -0.04 1.79 1.84 1of0A1 LYS 461 HG2 -0.01 0.05 -0.12 -0.04 1.46 1.35 1of0A1 LYS 461 HG3 -0.01 0.15 -0.40 -0.04 1.46 1.16 1of0A1 LYS 461 HD2 0.02 -0.05 -0.02 -0.04 1.69 1.61 1of0A1 LYS 461 HD3 0.05 -0.05 0.00 -0.04 1.68 1.64 1of0A1 LYS 461 HE2 0.02 0.08 -0.07 -0.04 2.99 2.97 1of0A1 LYS 461 HE3 0.02 -0.05 -0.28 -0.04 2.99 2.64 1of0A1 GLY 462 H -0.15 0.03 -0.35 -0.55 8.43 7.41 1of0A1 GLY 462 HA2 -0.39 0.19 0.85 -0.51 4.01 4.15 1of0A1 GLY 462 HA3 -0.19 -0.01 0.34 -0.51 4.01 3.65 1of0A1 TRP 463 H 0.03 0.18 0.06 -0.55 7.97 7.70 1of0A1 TRP 463 HA -0.12 0.35 0.95 -0.75 4.62 5.05 1of0A1 TRP 463 HB2 -0.10 -0.06 0.02 -0.04 3.23 3.04 1of0A1 TRP 463 HB3 -0.13 0.01 -0.01 -0.04 3.23 3.05 1of0A1 TRP 463 HD1 -0.07 0.08 -0.14 -0.04 7.22 7.05 1of0A1 TRP 463 HE1 -0.04 0.02 -0.09 -0.04 10.20 10.05 1of0A1 TRP 463 HE3 -0.09 -0.01 -0.32 -0.04 7.59 7.14 1of0A1 TRP 463 HZ2 -0.02 -0.02 -0.01 -0.04 7.44 7.36 1of0A1 TRP 463 HZ3 -0.04 -0.01 -0.07 -0.04 7.13 6.98 1of0A1 TRP 463 HH2 -0.03 -0.00 -0.01 -0.04 7.19 7.11 1of0A1 LYS 464 H -0.17 0.80 0.39 -0.55 8.42 8.88 1of0A1 LYS 464 HA -0.14 0.00 1.00 -0.75 4.32 4.42 1of0A1 LYS 464 HB2 -0.36 0.10 -0.02 -0.04 1.87 1.54 1of0A1 LYS 464 HB3 -0.20 -0.00 -0.03 -0.04 1.79 1.52 1of0A1 LYS 464 HG2 -0.08 -0.04 -0.41 -0.04 1.46 0.89 1of0A1 LYS 464 HG3 -0.01 0.02 -0.04 -0.04 1.46 1.39 1of0A1 LYS 464 HD2 -0.06 -0.14 0.24 -0.04 1.69 1.69 1of0A1 LYS 464 HD3 -0.06 0.06 0.08 -0.04 1.68 1.72 1of0A1 LYS 464 HE2 0.07 -0.07 0.09 -0.04 2.99 3.04 1of0A1 LYS 464 HE3 0.05 0.14 0.12 -0.04 2.99 3.26 1of0A1 ASP 465 H -0.11 -0.04 0.25 -0.55 8.40 7.96 1of0A1 ASP 465 HA -0.34 0.21 0.88 -0.75 4.63 4.62 1of0A1 ASP 465 HB2 0.25 0.14 0.16 -0.04 2.71 3.23 1of0A1 ASP 465 HB3 0.01 0.07 -0.03 -0.04 2.70 2.70 1of0A1 THR 466 H 0.08 -0.07 0.20 -0.55 8.28 7.93 1of0A1 THR 466 HA 0.41 0.33 0.79 -0.75 4.39 5.16 1of0A1 THR 466 HB 0.14 -0.10 -0.00 -0.04 4.32 4.32 1of0A1 THR 466 HG23 0.22 0.03 -0.26 -0.04 1.22 1.18 1of0A1 ILE 467 H 0.36 0.85 0.18 -0.55 8.25 9.09 1of0A1 ILE 467 HA 0.19 0.12 1.00 -0.75 4.18 4.74 1of0A1 ILE 467 HB 0.52 -0.02 -0.26 -0.04 1.89 2.09 1of0A1 ILE 467 HG12 0.22 0.01 -0.12 -0.04 1.49 1.56 1of0A1 ILE 467 HG13 0.13 0.08 -0.13 -0.04 1.21 1.25 1of0A1 ILE 467 HG23 0.25 0.04 -0.12 -0.04 0.93 1.07 1of0A1 ILE 467 HD13 0.15 -0.00 0.04 -0.04 0.88 1.02 1of0A1 GLN 468 H 0.10 0.15 0.12 -0.55 8.47 8.29 1of0A1 GLN 468 HA 0.09 0.09 0.50 -0.75 4.36 4.29 1of0A1 GLN 468 HB2 -0.01 0.01 0.13 -0.04 2.15 2.24 1of0A1 GLN 468 HB3 -0.08 -0.02 -0.13 -0.04 2.02 1.75 1of0A1 GLN 468 HG2 0.11 0.03 -0.13 -0.04 2.40 2.36 1of0A1 GLN 468 HG3 0.12 0.01 -0.04 -0.04 2.39 2.44 1of0A1 GLN 468 HE21 0.13 -0.04 -0.17 -0.04 6.97 6.84 1of0A1 GLN 468 HE22 0.14 0.03 -0.10 -0.04 7.69 7.72 1of0A1 ALA 469 H 0.10 0.58 0.25 -0.55 8.40 8.78 1of0A1 ALA 469 HA -0.02 0.12 0.82 -0.75 4.34 4.51 1of0A1 ALA 469 HB3 0.16 0.02 0.14 -0.04 1.41 1.69 1of0A1 HIS 470 H -0.24 0.18 -0.02 -0.55 8.41 7.78 1of0A1 HIS 470 HA 0.08 -0.06 0.35 -0.75 4.63 4.25 1of0A1 HIS 470 HB2 0.08 0.04 -0.05 -0.04 3.26 3.29 1of0A1 HIS 470 HB3 0.06 0.02 0.01 -0.04 3.20 3.25 1of0A1 HIS 470 HD2 0.07 0.03 -0.04 -0.04 6.97 6.99 1of0A1 HIS 470 HE1 0.07 -0.04 -0.07 -0.04 7.75 7.67 1of0A1 ALA 471 H 0.16 -0.01 -0.06 -0.55 8.40 7.94 1of0A1 ALA 471 HA 0.14 0.16 0.42 -0.75 4.34 4.30 1of0A1 ALA 471 HB3 0.05 0.00 -0.11 -0.04 1.41 1.31 1of0A1 GLY 472 H 0.01 0.43 0.31 -0.55 8.43 8.64 1of0A1 GLY 472 HA2 -0.61 -0.03 0.42 -0.51 4.01 3.28 1of0A1 GLY 472 HA3 -0.24 -0.05 0.42 -0.51 4.01 3.64 1of0A1 GLU 473 H 0.26 0.34 -0.11 -0.55 8.60 8.55 1of0A1 GLU 473 HA 0.37 0.18 0.84 -0.75 4.29 4.93 1of0A1 GLU 473 HB2 0.19 0.04 -0.20 -0.04 2.09 2.08 1of0A1 GLU 473 HB3 0.18 -0.13 -0.11 -0.04 1.99 1.89 1of0A1 GLU 473 HG2 0.10 0.01 -0.25 -0.04 2.34 2.16 1of0A1 GLU 473 HG3 0.11 0.33 -0.56 -0.04 2.34 2.18 1of0A1 VAL 474 H 0.24 0.56 0.31 -0.55 8.24 8.80 1of0A1 VAL 474 HA 0.08 0.33 1.03 -0.75 4.13 4.81 1of0A1 VAL 474 HB 0.20 -0.01 0.10 -0.04 2.12 2.37 1of0A1 VAL 474 HG13 0.07 -0.01 -0.32 -0.04 0.97 0.67 1of0A1 VAL 474 HG23 -0.12 -0.02 -0.20 -0.04 0.95 0.57 1of0A1 LEU 475 H 0.08 0.61 0.30 -0.55 8.37 8.82 1of0A1 LEU 475 HA 0.06 0.27 1.09 -0.75 4.35 5.01 1of0A1 LEU 475 HB2 0.06 -0.03 0.08 -0.04 1.64 1.71 1of0A1 LEU 475 HB3 0.08 0.00 0.20 -0.04 1.64 1.88 1of0A1 LEU 475 HG 0.05 -0.03 -0.32 -0.04 1.64 1.29 1of0A1 LEU 475 HD13 0.06 0.02 0.01 -0.04 0.93 0.98 1of0A1 LEU 475 HD23 0.08 0.01 -0.18 -0.04 0.89 0.76 1of0A1 ARG 476 H 0.04 0.61 0.41 -0.55 8.46 8.96 1of0A1 ARG 476 HA 0.04 0.45 1.25 -0.75 4.34 5.33 1of0A1 ARG 476 HB2 0.02 -0.10 0.14 -0.04 1.90 1.92 1of0A1 ARG 476 HB3 0.03 0.02 -0.02 -0.04 1.80 1.79 1of0A1 ARG 476 HG2 0.04 0.01 -0.18 -0.04 1.67 1.49 1of0A1 ARG 476 HG3 0.02 0.03 -0.25 -0.04 1.67 1.43 1of0A1 ARG 476 HD2 0.03 0.01 -0.13 -0.04 3.22 3.09 1of0A1 ARG 476 HD3 0.02 -0.02 -0.13 -0.04 3.22 3.05 1of0A1 ILE 477 H 0.02 0.53 0.39 -0.55 8.25 8.64 1of0A1 ILE 477 HA 0.00 0.17 1.09 -0.75 4.18 4.68 1of0A1 ILE 477 HB -0.38 0.10 0.05 -0.04 1.89 1.62 1of0A1 ILE 477 HG12 -0.14 0.09 0.05 -0.04 1.49 1.44 1of0A1 ILE 477 HG13 -0.34 -0.11 -0.12 -0.04 1.21 0.59 1of0A1 ILE 477 HG23 -0.11 -0.02 -0.22 -0.04 0.93 0.53 1of0A1 ILE 477 HD13 -1.06 0.00 -0.17 -0.04 0.88 -0.39 1of0A1 ALA 478 H 0.03 0.64 0.34 -0.55 8.40 8.86 1of0A1 ALA 478 HA 0.00 0.36 1.18 -0.75 4.34 5.12 1of0A1 ALA 478 HB3 0.04 -0.01 -0.01 -0.04 1.41 1.38 1of0A1 ALA 479 H -0.06 0.51 0.35 -0.55 8.40 8.65 1of0A1 ALA 479 HA -0.03 0.18 0.93 -0.75 4.34 4.66 1of0A1 ALA 479 HB3 -0.53 0.01 -0.12 -0.04 1.41 0.74 1of0A1 THR 480 H -0.16 0.28 0.16 -0.55 8.28 8.02 1of0A1 THR 480 HA -0.01 0.24 0.83 -0.75 4.39 4.69 1of0A1 THR 480 HB -0.09 -0.00 0.12 -0.04 4.32 4.31 1of0A1 THR 480 HG23 -0.02 0.00 -0.37 -0.04 1.22 0.79 1of0A1 PHE 481 H 0.25 0.54 0.17 -0.55 8.34 8.74 1of0A1 PHE 481 HA -0.07 0.07 0.59 -0.75 4.62 4.45 1of0A1 PHE 481 HB2 0.00 0.06 0.02 -0.04 3.15 3.19 1of0A1 PHE 481 HB3 -0.01 0.01 -0.12 -0.04 3.06 2.90 1of0A1 PHE 481 HD2 -0.03 0.09 -0.05 -0.04 7.28 7.25 1of0A1 PHE 481 HE2 -0.16 -0.02 -0.09 -0.04 7.38 7.07 1of0A1 PHE 481 HZ -0.97 -0.03 -0.15 -0.04 7.32 6.14 1of0A1 GLY 482 H -0.07 0.44 0.31 -0.55 8.43 8.55 1of0A1 GLY 482 HA2 0.01 0.22 0.16 -0.51 4.01 3.89 1of0A1 GLY 482 HA3 -0.04 0.04 0.38 -0.51 4.01 3.88 1of0A1 PRO 483 HA -0.12 0.07 0.34 -0.51 4.44 4.21 1of0A1 PRO 483 HB2 -0.29 0.00 0.03 -0.04 2.28 1.98 1of0A1 PRO 483 HB3 -0.22 0.04 0.09 -0.04 2.02 1.89 1of0A1 PRO 483 HG2 -1.34 -0.02 -0.02 -0.04 2.03 0.61 1of0A1 PRO 483 HG3 -0.51 0.07 0.08 -0.04 2.03 1.62 1of0A1 PRO 483 HD2 -0.36 0.12 0.32 -0.04 3.68 3.72 1of0A1 PRO 483 HD3 -0.27 0.13 0.24 -0.04 3.65 3.71 1of0A1 TYR 484 H -0.19 0.19 -0.18 -0.55 8.29 7.56 1of0A1 TYR 484 HA 0.06 0.13 0.69 -0.75 4.56 4.68 1of0A1 TYR 484 HB2 0.16 0.06 -0.11 -0.04 3.06 3.13 1of0A1 TYR 484 HB3 0.14 0.00 0.07 -0.04 2.98 3.15 1of0A1 TYR 484 HD2 0.05 0.07 -0.23 -0.04 7.15 7.00 1of0A1 TYR 484 HE2 -0.00 0.12 -0.22 -0.04 6.85 6.70 1of0A1 SER 485 H 0.23 0.11 0.21 -0.55 8.46 8.46 1of0A1 SER 485 HA 0.20 0.21 0.77 -0.75 4.49 4.92 1of0A1 SER 485 HB2 0.09 0.09 0.07 -0.04 3.95 4.16 1of0A1 SER 485 HB3 0.10 0.04 -0.11 -0.04 3.93 3.91 1of0A1 GLY 486 H 0.16 0.55 0.31 -0.55 8.43 8.91 1of0A1 GLY 486 HA2 -0.00 0.01 0.30 -0.51 4.01 3.80 1of0A1 GLY 486 HA3 -0.06 0.11 0.86 -0.51 4.01 4.40 1of0A1 ARG 487 H -0.24 0.14 0.16 -0.55 8.46 7.96 1of0A1 ARG 487 HA -0.01 0.18 0.92 -0.75 4.34 4.68 1of0A1 ARG 487 HB2 -0.12 -0.02 0.04 -0.04 1.90 1.76 1of0A1 ARG 487 HB3 -0.28 -0.03 0.18 -0.04 1.80 1.62 1of0A1 ARG 487 HG2 -0.59 -0.02 -0.03 -0.04 1.67 0.99 1of0A1 ARG 487 HG3 -0.68 -0.00 -0.22 -0.04 1.67 0.73 1of0A1 ARG 487 HD2 0.08 0.01 -0.01 -0.04 3.22 3.26 1of0A1 ARG 487 HD3 0.04 0.08 0.01 -0.04 3.22 3.31 1of0A1 TYR 488 H 0.24 0.83 0.33 -0.55 8.29 9.14 1of0A1 TYR 488 HA 0.16 0.14 0.80 -0.75 4.56 4.91 1of0A1 TYR 488 HB2 0.16 0.13 0.04 -0.04 3.06 3.35 1of0A1 TYR 488 HB3 0.16 -0.14 0.18 -0.04 2.98 3.13 1of0A1 TYR 488 HD2 0.16 0.06 -0.16 -0.04 7.15 7.16 1of0A1 TYR 488 HE2 0.12 0.05 -0.35 -0.04 6.85 6.62 1of0A1 VAL 489 H 0.14 0.23 0.23 -0.55 8.24 8.29 1of0A1 VAL 489 HA 0.31 0.16 0.84 -0.75 4.13 4.69 1of0A1 VAL 489 HB 0.16 0.10 0.05 -0.04 2.12 2.39 1of0A1 VAL 489 HG13 0.16 -0.03 -0.28 -0.04 0.97 0.77 1of0A1 VAL 489 HG23 -0.63 -0.01 -0.19 -0.04 0.95 0.07 1of0A1 TRP 490 H 0.24 0.70 0.35 -0.55 7.97 8.71 1of0A1 TRP 490 HA 0.03 0.18 0.83 -0.75 4.62 4.90 1of0A1 TRP 490 HB2 0.19 0.07 0.12 -0.04 3.23 3.57 1of0A1 TRP 490 HB3 0.23 -0.03 -0.05 -0.04 3.23 3.33 1of0A1 TRP 490 HD1 0.25 0.06 -0.23 -0.04 7.22 7.26 1of0A1 TRP 490 HE1 0.07 0.00 -0.06 -0.04 10.20 10.17 1of0A1 TRP 490 HE3 0.29 0.07 -0.21 -0.04 7.59 7.71 1of0A1 TRP 490 HZ2 -0.04 0.02 -0.14 -0.04 7.44 7.24 1of0A1 TRP 490 HZ3 0.20 -0.01 -0.18 -0.04 7.13 7.09 1of0A1 TRP 490 HH2 0.04 -0.05 -0.16 -0.04 7.19 6.97 1of0A1 HIS 491 H 0.04 0.73 0.37 -0.55 8.41 9.01 1of0A1 HIS 491 HA -0.32 0.03 0.52 -0.75 4.63 4.10 1of0A1 HIS 491 HB2 -0.05 0.21 0.32 -0.04 3.26 3.70 1of0A1 HIS 491 HB3 -0.10 -0.02 0.01 -0.04 3.20 3.05 1of0A1 HIS 491 HD2 0.08 -0.07 -0.35 -0.04 6.97 6.58 1of0A1 HIS 491 HE1 -0.32 -0.02 -0.18 -0.04 7.75 7.19 1of0A1 CYS 492 H 0.13 0.48 0.26 -0.55 8.50 8.83 1of0A1 CYS 492 HA 0.26 0.14 0.53 -0.75 4.58 4.76 1of0A1 CYS 492 HB2 0.16 0.00 0.05 -0.04 2.97 3.15 1of0A1 CYS 492 HB3 0.22 0.04 0.13 -0.04 2.97 3.32 1of0A1 HIS 493 H 0.35 0.69 0.28 -0.55 8.41 9.18 1of0A1 HIS 493 HA 0.37 0.17 0.71 -0.75 4.63 5.13 1of0A1 HIS 493 HB2 0.28 0.06 0.02 -0.04 3.26 3.59 1of0A1 HIS 493 HB3 0.23 0.07 0.01 -0.04 3.20 3.47 1of0A1 HIS 493 HD2 0.29 -0.00 -0.11 -0.04 6.97 7.10 1of0A1 HIS 493 HE1 0.07 -0.01 -0.06 -0.04 7.75 7.70 1of0A1 ILE 494 H 0.19 0.07 -0.42 -0.55 8.25 7.55 1of0A1 ILE 494 HA 0.06 0.42 0.89 -0.75 4.18 4.80 1of0A1 ILE 494 HB -0.19 -0.05 0.21 -0.04 1.89 1.81 1of0A1 ILE 494 HG12 -0.03 0.16 0.18 -0.04 1.49 1.76 1of0A1 ILE 494 HG13 0.08 -0.05 0.05 -0.04 1.21 1.24 1of0A1 ILE 494 HG23 -0.52 -0.07 0.04 -0.04 0.93 0.33 1of0A1 ILE 494 HD13 -0.09 -0.00 0.09 -0.04 0.88 0.84 1of0A1 LEU 495 H 0.07 0.59 0.14 -0.55 8.37 8.62 1of0A1 LEU 495 HA -0.06 0.04 0.24 -0.75 4.35 3.81 1of0A1 LEU 495 HB2 0.00 -0.06 0.07 -0.04 1.64 1.62 1of0A1 LEU 495 HB3 -0.07 -0.13 -0.08 -0.04 1.64 1.31 1of0A1 LEU 495 HG 0.10 0.25 0.19 -0.04 1.64 2.14 1of0A1 LEU 495 HD13 0.01 0.01 -0.10 -0.04 0.93 0.81 1of0A1 LEU 495 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.63 1of0A1 GLU 496 H 0.01 0.13 -0.30 -0.55 8.60 7.89 1of0A1 GLU 496 HA 0.04 0.01 0.31 -0.75 4.29 3.90 1of0A1 GLU 496 HB2 0.02 -0.02 -0.18 -0.04 2.09 1.88 1of0A1 GLU 496 HB3 0.13 0.24 -0.21 -0.04 1.99 2.11 1of0A1 GLU 496 HG2 0.09 -0.15 -0.38 -0.04 2.34 1.86 1of0A1 GLU 496 HG3 0.09 0.06 -0.10 -0.04 2.34 2.36 1of0A1 HIS 497 H 0.06 0.41 -0.32 -0.55 8.41 8.01 1of0A1 HIS 497 HA 0.08 0.12 0.60 -0.75 4.63 4.67 1of0A1 HIS 497 HB2 0.12 0.11 0.16 -0.04 3.26 3.60 1of0A1 HIS 497 HB3 0.09 -0.04 0.01 -0.04 3.20 3.22 1of0A1 HIS 497 HD2 0.09 0.02 -0.16 -0.04 6.97 6.88 1of0A1 HIS 497 HE1 0.06 -0.01 0.00 -0.04 7.75 7.75 1of0A1 GLU 498 H 0.09 0.48 -0.03 -0.55 8.60 8.59 1of0A1 GLU 498 HA -0.01 0.06 0.21 -0.75 4.29 3.80 1of0A1 GLU 498 HB2 -0.04 0.22 -0.04 -0.04 2.09 2.19 1of0A1 GLU 498 HB3 -0.14 -0.05 0.03 -0.04 1.99 1.78 1of0A1 GLU 498 HG2 -0.34 -0.09 -0.26 -0.04 2.34 1.61 1of0A1 GLU 498 HG3 -0.43 0.04 -0.07 -0.04 2.34 1.84 1of0A1 ASP 499 H -0.03 0.62 -0.24 -0.55 8.40 8.20 1of0A1 ASP 499 HA -0.13 -0.05 0.41 -0.75 4.63 4.11 1of0A1 ASP 499 HB2 -0.06 0.15 -0.01 -0.04 2.71 2.75 1of0A1 ASP 499 HB3 -0.10 0.05 -0.01 -0.04 2.70 2.60 1of0A1 TYR 500 H 0.13 0.41 -0.53 -0.55 8.29 7.75 1of0A1 TYR 500 HA -0.01 0.19 1.06 -0.75 4.56 5.05 1of0A1 TYR 500 HB2 0.00 -0.01 0.02 -0.04 3.06 3.02 1of0A1 TYR 500 HB3 0.01 0.01 0.29 -0.04 2.98 3.25 1of0A1 TYR 500 HD2 0.02 0.11 0.11 -0.04 7.15 7.35 1of0A1 TYR 500 HE2 0.05 0.01 -0.04 -0.04 6.85 6.83 1of0A1 ASP 501 H 0.07 0.20 -0.29 -0.55 8.40 7.83 1of0A1 ASP 501 HA 0.02 0.01 0.40 -0.75 4.63 4.30 1of0A1 ASP 501 HB2 -0.09 0.02 -0.33 -0.04 2.71 2.26 1of0A1 ASP 501 HB3 -0.06 0.06 0.26 -0.04 2.70 2.92 1of0A1 MET 502 H -0.00 0.38 -0.24 -0.55 8.47 8.06 1of0A1 MET 502 HA -0.08 0.07 0.73 -0.75 4.52 4.49 1of0A1 MET 502 HB2 -0.03 0.09 -0.10 -0.04 2.15 2.08 1of0A1 MET 502 HB3 0.06 -0.08 -0.22 -0.04 2.03 1.76 1of0A1 MET 502 HG2 -0.01 -0.20 0.08 -0.04 2.63 2.47 1of0A1 MET 502 HG3 -0.10 -0.01 -0.16 -0.04 2.56 2.24 1of0A1 MET 502 HE3 -0.35 0.01 -0.10 -0.04 2.10 1.62 1of0A1 MET 503 H -0.03 0.42 -0.64 -0.55 8.47 7.68 1of0A1 MET 503 HA -0.11 0.12 0.81 -0.75 4.52 4.59 1of0A1 MET 503 HB2 -0.16 0.03 -0.12 -0.04 2.15 1.86 1of0A1 MET 503 HB3 -0.16 -0.05 -0.00 -0.04 2.03 1.78 1of0A1 MET 503 HG2 0.06 0.00 -0.27 -0.04 2.63 2.38 1of0A1 MET 503 HG3 0.01 0.06 -0.04 -0.04 2.56 2.54 1of0A1 MET 503 HE3 -0.94 -0.01 -0.07 -0.04 2.10 1.04 1of0A1 ARG 504 H -0.25 0.61 0.35 -0.55 8.46 8.62 1of0A1 ARG 504 HA 0.16 0.23 0.97 -0.75 4.34 4.95 1of0A1 ARG 504 HB2 -0.50 -0.06 0.05 -0.04 1.90 1.35 1of0A1 ARG 504 HB3 0.10 0.08 0.07 -0.04 1.80 2.01 1of0A1 ARG 504 HG2 -0.17 -0.11 -0.50 -0.04 1.67 0.85 1of0A1 ARG 504 HG3 -0.07 -0.03 -0.09 -0.04 1.67 1.44 1of0A1 ARG 504 HD2 -0.02 0.11 -0.06 -0.04 3.22 3.20 1of0A1 ARG 504 HD3 -0.03 0.00 -0.39 -0.04 3.22 2.76 1of0A1 PRO 505 HA 0.20 0.18 0.71 -0.51 4.44 5.02 1of0A1 PRO 505 HB2 -0.08 -0.04 0.04 -0.04 2.28 2.16 1of0A1 PRO 505 HB3 -0.48 0.02 0.13 -0.04 2.02 1.64 1of0A1 PRO 505 HG2 -0.11 -0.15 0.10 -0.04 2.03 1.84 1of0A1 PRO 505 HG3 -0.40 0.18 0.10 -0.04 2.03 1.87 1of0A1 PRO 505 HD2 -0.16 0.11 0.28 -0.04 3.68 3.87 1of0A1 PRO 505 HD3 -0.87 0.22 0.24 -0.04 3.65 3.19 1of0A1 MET 506 H 0.24 0.71 0.13 -0.55 8.47 9.00 1of0A1 MET 506 HA 0.23 0.25 0.82 -0.75 4.52 5.06 1of0A1 MET 506 HB2 0.57 0.02 -0.34 -0.04 2.15 2.35 1of0A1 MET 506 HB3 0.36 -0.14 -0.25 -0.04 2.03 1.96 1of0A1 MET 506 HG2 0.20 -0.03 -0.33 -0.04 2.63 2.43 1of0A1 MET 506 HG3 0.21 0.11 -0.09 -0.04 2.56 2.74 1of0A1 MET 506 HE3 0.22 0.01 -0.09 -0.04 2.10 2.20 1of0A1 ASP 507 H 0.08 0.38 0.13 -0.55 8.40 8.45 1of0A1 ASP 507 HA 0.11 0.24 1.03 -0.75 4.63 5.25 1of0A1 ASP 507 HB2 0.03 0.00 0.07 -0.04 2.71 2.77 1of0A1 ASP 507 HB3 0.03 -0.01 -0.12 -0.04 2.70 2.56 1of0A1 ILE 508 H 0.19 0.62 0.27 -0.55 8.25 8.78 1of0A1 ILE 508 HA 0.02 0.34 0.73 -0.75 4.18 4.52 1of0A1 ILE 508 HB 0.25 -0.15 0.20 -0.04 1.89 2.15 1of0A1 ILE 508 HG12 0.07 0.02 -0.19 -0.04 1.49 1.34 1of0A1 ILE 508 HG13 0.21 -0.01 -0.23 -0.04 1.21 1.13 1of0A1 ILE 508 HG23 0.13 0.02 -0.22 -0.04 0.93 0.82 1of0A1 ILE 508 HD13 0.12 -0.01 -0.15 -0.04 0.88 0.80 1of0A1 THR 509 H 0.02 0.67 0.12 -0.55 8.28 8.54 1of0A1 THR 509 HA 0.04 -0.00 0.50 -0.75 4.39 4.17 1of0A1 THR 509 HB 0.01 -0.06 0.02 -0.04 4.32 4.25 1of0A1 THR 509 HG23 0.01 0.04 -0.10 -0.04 1.22 1.12 1of0A1 ASP 510 H 0.03 0.09 0.08 -0.55 8.40 8.05 1of0A1 ASP 510 HA 0.03 0.16 0.73 -0.75 4.63 4.79 1of0A1 ASP 510 HB2 0.05 -0.04 -0.07 -0.04 2.71 2.61 1of0A1 ASP 510 HB3 0.03 0.01 0.08 -0.04 2.70 2.78